1-(4-chloro-3-methylphenyl)-2-[4-[(1-ethylpiperidin-4-yl)amino]-6-methylpyrimidin-2-yl]guanidine;N-[3-[5-(3-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;1-(4-chloro-3-methylphenyl)-2-[6-(piperidin-4-ylamino)-2-pyridinyl]guanidine;N-[3-[5-(3-chloro-4-methylphenyl)-4H-pyrazol-3-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;N-[3-[5-(3-chloro-4-methylphenyl)-1,3,4-thiadiazol-2-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;2-[5-(3-chloro-4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine

C124H149Cl6N31OS2 — CID 157141705

About 1-(4-chloro-3-methylphenyl)-2-[4-[(1-ethylpiperidin-4-yl)amino]-6-methylpyrimidin-2-yl]guanidine;N-[3-[5-(3-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;1-(4-chloro-3-methylphenyl)-2-[6-(piperidin-4-ylamino)-2-pyridinyl]guanidine;N-[3-[5-(3-chloro-4-methylphenyl)-4H-pyrazol-3-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;N-[3-[5-(3-chloro-4-methylphenyl)-1,3,4-thiadiazol-2-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;2-[5-(3-chloro-4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine

1-(4-chloro-3-methylphenyl)-2-[4-[(1-ethylpiperidin-4-yl)amino]-6-methylpyrimidin-2-yl]guanidine;N-[3-[5-(3-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;1-(4-chloro-3-methylphenyl)-2-[6-(piperidin-4-ylamino)-2-pyridinyl]guanidine;N-[3-[5-(3-chloro-4-methylphenyl)-4H-pyrazol-3-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;N-[3-[5-(3-chloro-4-methylphenyl)-1,3,4-thiadiazol-2-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;2-[5-(3-chloro-4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine (PubChem CID 157141705) has the molecular formula C124H149Cl6N31OS2 and a molecular weight of 2366.62 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-2-[4-[(1-ethylpiperidin-4-yl)amino]-6-methylpyrimidin-2-yl]guanidine;N-[3-[5-(3-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;1-(4-chloro-3-methylphenyl)-2-[6-(piperidin-4-ylamino)-2-pyridinyl]guanidine;N-[3-[5-(3-chloro-4-methylphenyl)-4H-pyrazol-3-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;N-[3-[5-(3-chloro-4-methylphenyl)-1,3,4-thiadiazol-2-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;2-[5-(3-chloro-4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: 1-(4-chloro-3-methylphenyl)-2-[4-[(1-ethylpiperidin-4-yl)amino]-6-methylpyrimidin-2-yl]guanidine;N-[3-[5-(3-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;1-(4-chloro-3-methylphenyl)-2-[6-(piperidin-4-ylamino)-2-pyridinyl]guanidine;N-[3-[5-(3-chloro-4-methylphenyl)-4H-pyrazol-3-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;N-[3-[5-(3-chloro-4-methylphenyl)-1,3,4-thiadiazol-2-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;2-[5-(3-chloro-4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine
• PubChem CID: 157141705
• Molecular Formula: C124H149Cl6N31OS2
• Molecular Weight: 2366.62 g/mol
• Exact Mass: 2362.01
• IUPAC Name: 1-(4-chloro-3-methylphenyl)-2-[4-[(1-ethylpiperidin-4-yl)amino]-6-methylpyrimidin-2-yl]guanidine;N-[3-[5-(3-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;1-(4-chloro-3-methylphenyl)-2-[6-(piperidin-4-ylamino)-2-pyridinyl]guanidine;N-[3-[5-(3-chloro-4-methylphenyl)-4H-pyrazol-3-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;N-[3-[5-(3-chloro-4-methylphenyl)-1,3,4-thiadiazol-2-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;2-[5-(3-chloro-4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine
• SMILES: CCN1CCC(Nc2cc(C)nc(N=C(N)Nc3ccc(Cl)c(C)c3)n2)CC1.Cc1cc(NC(N)=Nc2cccc(NC3CCNCC3)n2)ccc1Cl.Cc1cc(NC2CCN(C)CC2)cc(-c2nnc(-c3ccc(C)c(Cl)c3)o2)c1.Cc1cc(NC2CCN(C)CC2)cc(-c2nnc(-c3ccc(C)c(Cl)c3)s2)c1.Cc1cc(NC2CCN(C)CC2)cc(C2=NN=C(c3ccc(C)c(Cl)c3)C2)c1.Cc1ccc(-c2nnc(-c3nccc(NC4CCN(C)CC4)n3)s2)cc1Cl
• InChI: InChI=1S/C23H27ClN4.C22H25ClN4O.C22H25ClN4S.C20H28ClN7.C19H21ClN6S.C18H23ClN6/c1-15-10-18(12-20(11-15)25-19-6-8-28(3)9-7-19)23-14-22(26-27-23)17-5-4-16(2)21(24)13-17;2*1-14-10-17(12-19(11-14)24-18-6-8-27(3)9-7-18)22-26-25-21(28-22)16-5-4-15(2)20(23)13-16;1-4-28-9-7-15(8-10-28)24-18-12-14(3)23-20(26-18)27-19(22)25-16-5-6-17(21)13(2)11-16;1-12-3-4-13(11-15(12)20)18-24-25-19(27-18)17-21-8-5-16(23-17)22-14-6-9-26(2)10-7-14;1-12-11-14(5-6-15(12)19)23-18(20)25-17-4-2-3-16(24-17)22-13-7-9-21-10-8-13/h4-5,10-13,19,25H,6-9,14H2,1-3H3;2*4-5,10-13,18,24H,6-9H2,1-3H3;5-6,11-12,15H,4,7-10H2,1-3H3,(H4,22,23,24,25,26,27);3-5,8,11,14H,6-7,9-10H2,1-2H3,(H,21,22,23);2-6,11,13,21H,7-10H2,1H3,(H4,20,22,23,24,25)
• InChIKey: AKGKZJOSVDYPMK-UHFFFAOYSA-N
• XLogP: 26.99
• TPSA: 380.88 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 30
• Rotatable Bonds: 25
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2366.62
LogP ≤ 5	26.99
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)-2-[4-[(1-ethylpiperidin-4-yl)amino]-6-methylpyrimidin-2-yl]guanidine;N-[3-[5-(3-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;1-(4-chloro-3-methylphenyl)-2-[6-(piperidin-4-ylamino)-2-pyridinyl]guanidine;N-[3-[5-(3-chloro-4-methylphenyl)-4H-pyrazol-3-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;N-[3-[5-(3-chloro-4-methylphenyl)-1,3,4-thiadiazol-2-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;2-[5-(3-chloro-4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine?

The IUPAC name of 1-(4-chloro-3-methylphenyl)-2-[4-[(1-ethylpiperidin-4-yl)amino]-6-methylpyrimidin-2-yl]guanidine;N-[3-[5-(3-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;1-(4-chloro-3-methylphenyl)-2-[6-(piperidin-4-ylamino)-2-pyridinyl]guanidine;N-[3-[5-(3-chloro-4-methylphenyl)-4H-pyrazol-3-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;N-[3-[5-(3-chloro-4-methylphenyl)-1,3,4-thiadiazol-2-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;2-[5-(3-chloro-4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine (CID 157141705) is 1-(4-chloro-3-methylphenyl)-2-[4-[(1-ethylpiperidin-4-yl)amino]-6-methylpyrimidin-2-yl]guanidine;N-[3-[5-(3-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;1-(4-chloro-3-methylphenyl)-2-[6-(piperidin-4-ylamino)-2-pyridinyl]guanidine;N-[3-[5-(3-chloro-4-methylphenyl)-4H-pyrazol-3-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;N-[3-[5-(3-chloro-4-methylphenyl)-1,3,4-thiadiazol-2-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;2-[5-(3-chloro-4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine.

What is the SMILES notation for 1-(4-chloro-3-methylphenyl)-2-[4-[(1-ethylpiperidin-4-yl)amino]-6-methylpyrimidin-2-yl]guanidine;N-[3-[5-(3-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;1-(4-chloro-3-methylphenyl)-2-[6-(piperidin-4-ylamino)-2-pyridinyl]guanidine;N-[3-[5-(3-chloro-4-methylphenyl)-4H-pyrazol-3-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;N-[3-[5-(3-chloro-4-methylphenyl)-1,3,4-thiadiazol-2-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;2-[5-(3-chloro-4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine?

The canonical SMILES for 1-(4-chloro-3-methylphenyl)-2-[4-[(1-ethylpiperidin-4-yl)amino]-6-methylpyrimidin-2-yl]guanidine;N-[3-[5-(3-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;1-(4-chloro-3-methylphenyl)-2-[6-(piperidin-4-ylamino)-2-pyridinyl]guanidine;N-[3-[5-(3-chloro-4-methylphenyl)-4H-pyrazol-3-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;N-[3-[5-(3-chloro-4-methylphenyl)-1,3,4-thiadiazol-2-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;2-[5-(3-chloro-4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine is CCN1CCC(Nc2cc(C)nc(N=C(N)Nc3ccc(Cl)c(C)c3)n2)CC1.Cc1cc(NC(N)=Nc2cccc(NC3CCNCC3)n2)ccc1Cl.Cc1cc(NC2CCN(C)CC2)cc(-c2nnc(-c3ccc(C)c(Cl)c3)o2)c1.Cc1cc(NC2CCN(C)CC2)cc(-c2nnc(-c3ccc(C)c(Cl)c3)s2)c1.Cc1cc(NC2CCN(C)CC2)cc(C2=NN=C(c3ccc(C)c(Cl)c3)C2)c1.Cc1ccc(-c2nnc(-c3nccc(NC4CCN(C)CC4)n3)s2)cc1Cl.

What is the InChIKey of 1-(4-chloro-3-methylphenyl)-2-[4-[(1-ethylpiperidin-4-yl)amino]-6-methylpyrimidin-2-yl]guanidine;N-[3-[5-(3-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;1-(4-chloro-3-methylphenyl)-2-[6-(piperidin-4-ylamino)-2-pyridinyl]guanidine;N-[3-[5-(3-chloro-4-methylphenyl)-4H-pyrazol-3-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;N-[3-[5-(3-chloro-4-methylphenyl)-1,3,4-thiadiazol-2-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;2-[5-(3-chloro-4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine?

The InChIKey is AKGKZJOSVDYPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4.C22H25ClN4O.C22H25ClN4S.C20H28ClN7.C19H21ClN6S.C18H23ClN6/c1-15-10-18(12-20(11-15)25-19-6-8-28(3)9-7-19)23-14-22(26-27-23)17-5-4-16(2)21(24)13-17;2*1-14-10-17(12-19(11-14)24-18-6-8-27(3)9-7-18)22-26-25-21(28-22)16-5-4-15(2)20(23)13-16;1-4-28-9-7-15(8-10-28)24-18-12-14(3)23-20(26-18)27-19(22)25-16-5-6-17(21)13(2)11-16;1-12-3-4-13(11-15(12)20)18-24-25-19(27-18)17-21-8-5-16(23-17)22-14-6-9-26(2)10-7-14;1-12-11-14(5-6-15(12)19)23-18(20)25-17-4-2-3-16(24-17)22-13-7-9-21-10-8-13/h4-5,10-13,19,25H,6-9,14H2,1-3H3;2*4-5,10-13,18,24H,6-9H2,1-3H3;5-6,11-12,15H,4,7-10H2,1-3H3,(H4,22,23,24,25,26,27);3-5,8,11,14H,6-7,9-10H2,1-2H3,(H,21,22,23);2-6,11,13,21H,7-10H2,1H3,(H4,20,22,23,24,25).

What are the key properties of 1-(4-chloro-3-methylphenyl)-2-[4-[(1-ethylpiperidin-4-yl)amino]-6-methylpyrimidin-2-yl]guanidine;N-[3-[5-(3-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;1-(4-chloro-3-methylphenyl)-2-[6-(piperidin-4-ylamino)-2-pyridinyl]guanidine;N-[3-[5-(3-chloro-4-methylphenyl)-4H-pyrazol-3-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;N-[3-[5-(3-chloro-4-methylphenyl)-1,3,4-thiadiazol-2-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;2-[5-(3-chloro-4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine?

1-(4-chloro-3-methylphenyl)-2-[4-[(1-ethylpiperidin-4-yl)amino]-6-methylpyrimidin-2-yl]guanidine;N-[3-[5-(3-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;1-(4-chloro-3-methylphenyl)-2-[6-(piperidin-4-ylamino)-2-pyridinyl]guanidine;N-[3-[5-(3-chloro-4-methylphenyl)-4H-pyrazol-3-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;N-[3-[5-(3-chloro-4-methylphenyl)-1,3,4-thiadiazol-2-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;2-[5-(3-chloro-4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine has a molecular weight of 2366.62 g/mol, XLogP of 26.99, 25 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chloro-3-methylphenyl)-2-[4-[(1-ethylpiperidin-4-yl)amino]-6-methylpyrimidin-2-yl]guanidine;N-[3-[5-(3-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;1-(4-chloro-3-methylphenyl)-2-[6-(piperidin-4-ylamino)-2-pyridinyl]guanidine;N-[3-[5-(3-chloro-4-methylphenyl)-4H-pyrazol-3-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;N-[3-[5-(3-chloro-4-methylphenyl)-1,3,4-thiadiazol-2-yl]-5-methylphenyl]-1-methylpiperidin-4-amine;2-[5-(3-chloro-4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 157141705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).