2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-N-cyclopentyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-N-cyclopropyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;N-(1,2-benzoxazol-3-yl)-2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide

C110H99Cl5N40O11S2 — CID 160902870

About 2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-N-cyclopentyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-N-cyclopropyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;N-(1,2-benzoxazol-3-yl)-2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide

2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-N-cyclopentyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-N-cyclopropyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;N-(1,2-benzoxazol-3-yl)-2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide (PubChem CID 160902870) has the molecular formula C110H99Cl5N40O11S2 and a molecular weight of 2398.67 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-N-cyclopentyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-N-cyclopropyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;N-(1,2-benzoxazol-3-yl)-2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-N-cyclopentyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-N-cyclopropyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;N-(1,2-benzoxazol-3-yl)-2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
• PubChem CID: 160902870
• Molecular Formula: C110H99Cl5N40O11S2
• Molecular Weight: 2398.67 g/mol
• Exact Mass: 2394.63
• IUPAC Name: 2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-N-cyclopentyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-N-cyclopropyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;N-(1,2-benzoxazol-3-yl)-2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
• SMILES: CC1=C(C(=O)NC2CC2)C(c2nn(C)cc2Cl)N=C(Nc2nc3ccccc3o2)N1.CC1=C(C(=O)NC2CCCC2)C(c2nn(C)cc2Cl)N=C(Nc2nc3ccccc3o2)N1.CC1=C(C(=O)Nc2nnc(-c3ccccc3)s2)C(c2nn(C)cc2Cl)N=C(Nc2nc3ccccc3o2)N1.CC1=C(C(=O)Nc2nncs2)C(c2nn(C)cc2Cl)N=C(Nc2nc3ccccc3o2)N1.CC1=C(C(=O)Nc2noc3ccccc23)C(c2nn(C)cc2Cl)N=C(Nc2nc3ccccc3o2)N1
• InChI: InChI=1S/C25H20ClN9O2S.C24H19ClN8O3.C22H24ClN7O2.C20H20ClN7O2.C19H16ClN9O2S/c1-13-18(21(36)30-25-33-32-22(38-25)14-8-4-3-5-9-14)20(19-15(26)12-35(2)34-19)29-23(27-13)31-24-28-16-10-6-7-11-17(16)37-24;1-12-18(22(34)29-21-13-7-3-5-9-16(13)36-32-21)20(19-14(25)11-33(2)31-19)28-23(26-12)30-24-27-15-8-4-6-10-17(15)35-24;1-12-17(20(31)25-13-7-3-4-8-13)19(18-14(23)11-30(2)29-18)27-21(24-12)28-22-26-15-9-5-6-10-16(15)32-22;1-10-15(18(29)23-11-7-8-11)17(16-12(21)9-28(2)27-16)25-19(22-10)26-20-24-13-5-3-4-6-14(13)30-20;1-9-13(16(30)25-19-27-21-8-32-19)15(14-10(20)7-29(2)28-14)24-17(22-9)26-18-23-11-5-3-4-6-12(11)31-18/h3-12,20H,1-2H3,(H,30,33,36)(H2,27,28,29,31);3-11,20H,1-2H3,(H,29,32,34)(H2,26,27,28,30);5-6,9-11,13,19H,3-4,7-8H2,1-2H3,(H,25,31)(H2,24,26,27,28);3-6,9,11,17H,7-8H2,1-2H3,(H,23,29)(H2,22,24,25,26);3-8,15H,1-2H3,(H,25,27,30)(H2,22,23,24,26)
• InChIKey: SPSZNSDISNZDCB-UHFFFAOYSA-N
• XLogP: 18.77
• TPSA: 624.44 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 48
• Rotatable Bonds: 21
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2398.67
LogP ≤ 5	18.77
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	48

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-N-cyclopentyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-N-cyclopropyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;N-(1,2-benzoxazol-3-yl)-2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide?

The IUPAC name of 2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-N-cyclopentyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-N-cyclopropyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;N-(1,2-benzoxazol-3-yl)-2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide (CID 160902870) is 2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-N-cyclopentyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-N-cyclopropyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;N-(1,2-benzoxazol-3-yl)-2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide.

What is the SMILES notation for 2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-N-cyclopentyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-N-cyclopropyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;N-(1,2-benzoxazol-3-yl)-2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide?

The canonical SMILES for 2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-N-cyclopentyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-N-cyclopropyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;N-(1,2-benzoxazol-3-yl)-2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide is CC1=C(C(=O)NC2CC2)C(c2nn(C)cc2Cl)N=C(Nc2nc3ccccc3o2)N1.CC1=C(C(=O)NC2CCCC2)C(c2nn(C)cc2Cl)N=C(Nc2nc3ccccc3o2)N1.CC1=C(C(=O)Nc2nnc(-c3ccccc3)s2)C(c2nn(C)cc2Cl)N=C(Nc2nc3ccccc3o2)N1.CC1=C(C(=O)Nc2nncs2)C(c2nn(C)cc2Cl)N=C(Nc2nc3ccccc3o2)N1.CC1=C(C(=O)Nc2noc3ccccc23)C(c2nn(C)cc2Cl)N=C(Nc2nc3ccccc3o2)N1.

What is the InChIKey of 2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-N-cyclopentyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-N-cyclopropyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;N-(1,2-benzoxazol-3-yl)-2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide?

The InChIKey is SPSZNSDISNZDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN9O2S.C24H19ClN8O3.C22H24ClN7O2.C20H20ClN7O2.C19H16ClN9O2S/c1-13-18(21(36)30-25-33-32-22(38-25)14-8-4-3-5-9-14)20(19-15(26)12-35(2)34-19)29-23(27-13)31-24-28-16-10-6-7-11-17(16)37-24;1-12-18(22(34)29-21-13-7-3-5-9-16(13)36-32-21)20(19-14(25)11-33(2)31-19)28-23(26-12)30-24-27-15-8-4-6-10-17(15)35-24;1-12-17(20(31)25-13-7-3-4-8-13)19(18-14(23)11-30(2)29-18)27-21(24-12)28-22-26-15-9-5-6-10-16(15)32-22;1-10-15(18(29)23-11-7-8-11)17(16-12(21)9-28(2)27-16)25-19(22-10)26-20-24-13-5-3-4-6-14(13)30-20;1-9-13(16(30)25-19-27-21-8-32-19)15(14-10(20)7-29(2)28-14)24-17(22-9)26-18-23-11-5-3-4-6-12(11)31-18/h3-12,20H,1-2H3,(H,30,33,36)(H2,27,28,29,31);3-11,20H,1-2H3,(H,29,32,34)(H2,26,27,28,30);5-6,9-11,13,19H,3-4,7-8H2,1-2H3,(H,25,31)(H2,24,26,27,28);3-6,9,11,17H,7-8H2,1-2H3,(H,23,29)(H2,22,24,25,26);3-8,15H,1-2H3,(H,25,27,30)(H2,22,23,24,26).

What are the key properties of 2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-N-cyclopentyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-N-cyclopropyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;N-(1,2-benzoxazol-3-yl)-2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide?

2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-N-cyclopentyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-N-cyclopropyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;N-(1,2-benzoxazol-3-yl)-2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide has a molecular weight of 2398.67 g/mol, XLogP of 18.77, 21 rotatable bonds, 15 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-N-cyclopentyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-N-cyclopropyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;N-(1,2-benzoxazol-3-yl)-2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 160902870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).