2-N-(4-aminophenyl)-4-N-cyclopropyl-5-methylpyrimidine-2,4-diamine;cyclopropanecarbonyl chloride;N-(cyclopropanecarbonyl)-N-[4-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]phenyl]cyclopropanecarboxamide;N-ethyl-N-propan-2-ylpropan-2-amine

C48H66ClN11O3 — CID 158050445

About 2-N-(4-aminophenyl)-4-N-cyclopropyl-5-methylpyrimidine-2,4-diamine;cyclopropanecarbonyl chloride;N-(cyclopropanecarbonyl)-N-[4-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]phenyl]cyclopropanecarboxamide;N-ethyl-N-propan-2-ylpropan-2-amine

2-N-(4-aminophenyl)-4-N-cyclopropyl-5-methylpyrimidine-2,4-diamine;cyclopropanecarbonyl chloride;N-(cyclopropanecarbonyl)-N-[4-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]phenyl]cyclopropanecarboxamide;N-ethyl-N-propan-2-ylpropan-2-amine (PubChem CID 158050445) has the molecular formula C48H66ClN11O3 and a molecular weight of 880.58 g/mol. Its IUPAC name is 2-N-(4-aminophenyl)-4-N-cyclopropyl-5-methylpyrimidine-2,4-diamine;cyclopropanecarbonyl chloride;N-(cyclopropanecarbonyl)-N-[4-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]phenyl]cyclopropanecarboxamide;N-ethyl-N-propan-2-ylpropan-2-amine.

Molecular Properties

• Compound Name: 2-N-(4-aminophenyl)-4-N-cyclopropyl-5-methylpyrimidine-2,4-diamine;cyclopropanecarbonyl chloride;N-(cyclopropanecarbonyl)-N-[4-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]phenyl]cyclopropanecarboxamide;N-ethyl-N-propan-2-ylpropan-2-amine
• PubChem CID: 158050445
• Molecular Formula: C48H66ClN11O3
• Molecular Weight: 880.58 g/mol
• Exact Mass: 879.50
• IUPAC Name: 2-N-(4-aminophenyl)-4-N-cyclopropyl-5-methylpyrimidine-2,4-diamine;cyclopropanecarbonyl chloride;N-(cyclopropanecarbonyl)-N-[4-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]phenyl]cyclopropanecarboxamide;N-ethyl-N-propan-2-ylpropan-2-amine
• SMILES: CCN(C(C)C)C(C)C.Cc1cnc(Nc2ccc(N(C(=O)C3CC3)C(=O)C3CC3)cc2)nc1NC1CC1.Cc1cnc(Nc2ccc(N)cc2)nc1NC1CC1.O=C(Cl)C1CC1
• InChI: InChI=1S/C22H25N5O2.C14H17N5.C8H19N.C4H5ClO/c1-13-12-23-22(26-19(13)24-16-6-7-16)25-17-8-10-18(11-9-17)27(20(28)14-2-3-14)21(29)15-4-5-15;1-9-8-16-14(19-13(9)17-11-6-7-11)18-12-4-2-10(15)3-5-12;1-6-9(7(2)3)8(4)5;5-4(6)3-1-2-3/h8-12,14-16H,2-7H2,1H3,(H2,23,24,25,26);2-5,8,11H,6-7,15H2,1H3,(H2,16,17,18,19);7-8H,6H2,1-5H3;3H,1-2H2
• InChIKey: FJKLFNZBNBYPRT-UHFFFAOYSA-N
• XLogP: 9.75
• TPSA: 183.39 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	880.58
LogP ≤ 5	9.75
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-aminophenyl)-4-N-cyclopropyl-5-methylpyrimidine-2,4-diamine;cyclopropanecarbonyl chloride;N-(cyclopropanecarbonyl)-N-[4-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]phenyl]cyclopropanecarboxamide;N-ethyl-N-propan-2-ylpropan-2-amine?

The IUPAC name of 2-N-(4-aminophenyl)-4-N-cyclopropyl-5-methylpyrimidine-2,4-diamine;cyclopropanecarbonyl chloride;N-(cyclopropanecarbonyl)-N-[4-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]phenyl]cyclopropanecarboxamide;N-ethyl-N-propan-2-ylpropan-2-amine (CID 158050445) is 2-N-(4-aminophenyl)-4-N-cyclopropyl-5-methylpyrimidine-2,4-diamine;cyclopropanecarbonyl chloride;N-(cyclopropanecarbonyl)-N-[4-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]phenyl]cyclopropanecarboxamide;N-ethyl-N-propan-2-ylpropan-2-amine.

What is the SMILES notation for 2-N-(4-aminophenyl)-4-N-cyclopropyl-5-methylpyrimidine-2,4-diamine;cyclopropanecarbonyl chloride;N-(cyclopropanecarbonyl)-N-[4-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]phenyl]cyclopropanecarboxamide;N-ethyl-N-propan-2-ylpropan-2-amine?

The canonical SMILES for 2-N-(4-aminophenyl)-4-N-cyclopropyl-5-methylpyrimidine-2,4-diamine;cyclopropanecarbonyl chloride;N-(cyclopropanecarbonyl)-N-[4-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]phenyl]cyclopropanecarboxamide;N-ethyl-N-propan-2-ylpropan-2-amine is CCN(C(C)C)C(C)C.Cc1cnc(Nc2ccc(N(C(=O)C3CC3)C(=O)C3CC3)cc2)nc1NC1CC1.Cc1cnc(Nc2ccc(N)cc2)nc1NC1CC1.O=C(Cl)C1CC1.

What is the InChIKey of 2-N-(4-aminophenyl)-4-N-cyclopropyl-5-methylpyrimidine-2,4-diamine;cyclopropanecarbonyl chloride;N-(cyclopropanecarbonyl)-N-[4-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]phenyl]cyclopropanecarboxamide;N-ethyl-N-propan-2-ylpropan-2-amine?

The InChIKey is FJKLFNZBNBYPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2.C14H17N5.C8H19N.C4H5ClO/c1-13-12-23-22(26-19(13)24-16-6-7-16)25-17-8-10-18(11-9-17)27(20(28)14-2-3-14)21(29)15-4-5-15;1-9-8-16-14(19-13(9)17-11-6-7-11)18-12-4-2-10(15)3-5-12;1-6-9(7(2)3)8(4)5;5-4(6)3-1-2-3/h8-12,14-16H,2-7H2,1H3,(H2,23,24,25,26);2-5,8,11H,6-7,15H2,1H3,(H2,16,17,18,19);7-8H,6H2,1-5H3;3H,1-2H2.

What are the key properties of 2-N-(4-aminophenyl)-4-N-cyclopropyl-5-methylpyrimidine-2,4-diamine;cyclopropanecarbonyl chloride;N-(cyclopropanecarbonyl)-N-[4-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]phenyl]cyclopropanecarboxamide;N-ethyl-N-propan-2-ylpropan-2-amine?

2-N-(4-aminophenyl)-4-N-cyclopropyl-5-methylpyrimidine-2,4-diamine;cyclopropanecarbonyl chloride;N-(cyclopropanecarbonyl)-N-[4-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]phenyl]cyclopropanecarboxamide;N-ethyl-N-propan-2-ylpropan-2-amine has a molecular weight of 880.58 g/mol, XLogP of 9.75, 15 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(4-aminophenyl)-4-N-cyclopropyl-5-methylpyrimidine-2,4-diamine;cyclopropanecarbonyl chloride;N-(cyclopropanecarbonyl)-N-[4-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]phenyl]cyclopropanecarboxamide;N-ethyl-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 158050445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).