N-(4-chloro-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(6-chloro-2-propan-2-yloxy-3-pyridinyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(4-methoxy-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-methyl-N-(4-methyl-2-propan-2-yloxyphenyl)pyrrolo[3,2-d]pyrimidin-4-amine;4-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-3-propan-2-yloxybenzonitrile

C82H90Cl2N22O6 — CID 157052535

About N-(4-chloro-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(6-chloro-2-propan-2-yloxy-3-pyridinyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(4-methoxy-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-methyl-N-(4-methyl-2-propan-2-yloxyphenyl)pyrrolo[3,2-d]pyrimidin-4-amine;4-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-3-propan-2-yloxybenzonitrile

N-(4-chloro-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(6-chloro-2-propan-2-yloxy-3-pyridinyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(4-methoxy-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-methyl-N-(4-methyl-2-propan-2-yloxyphenyl)pyrrolo[3,2-d]pyrimidin-4-amine;4-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-3-propan-2-yloxybenzonitrile (PubChem CID 157052535) has the molecular formula C82H90Cl2N22O6 and a molecular weight of 1550.68 g/mol. Its IUPAC name is N-(4-chloro-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(6-chloro-2-propan-2-yloxy-3-pyridinyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(4-methoxy-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-methyl-N-(4-methyl-2-propan-2-yloxyphenyl)pyrrolo[3,2-d]pyrimidin-4-amine;4-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-3-propan-2-yloxybenzonitrile.

Molecular Properties

• Compound Name: N-(4-chloro-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(6-chloro-2-propan-2-yloxy-3-pyridinyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(4-methoxy-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-methyl-N-(4-methyl-2-propan-2-yloxyphenyl)pyrrolo[3,2-d]pyrimidin-4-amine;4-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-3-propan-2-yloxybenzonitrile
• PubChem CID: 157052535
• Molecular Formula: C82H90Cl2N22O6
• Molecular Weight: 1550.68 g/mol
• Exact Mass: 1548.68
• IUPAC Name: N-(4-chloro-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(6-chloro-2-propan-2-yloxy-3-pyridinyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(4-methoxy-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-methyl-N-(4-methyl-2-propan-2-yloxyphenyl)pyrrolo[3,2-d]pyrimidin-4-amine;4-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-3-propan-2-yloxybenzonitrile
• SMILES: CC(C)Oc1cc(C#N)ccc1Nc1ncnc2ccn(C)c12.CC(C)Oc1cc(Cl)ccc1Nc1ncnc2ccn(C)c12.CC(C)Oc1nc(Cl)ccc1Nc1ncnc2ccn(C)c12.COc1ccc(Nc2ncnc3ccn(C)c23)c(OC(C)C)c1.Cc1ccc(Nc2ncnc3ccn(C)c23)c(OC(C)C)c1
• InChI: InChI=1S/C17H17N5O.C17H20N4O2.C17H20N4O.C16H17ClN4O.C15H16ClN5O/c1-11(2)23-15-8-12(9-18)4-5-13(15)21-17-16-14(19-10-20-17)6-7-22(16)3;1-11(2)23-15-9-12(22-4)5-6-13(15)20-17-16-14(18-10-19-17)7-8-21(16)3;1-11(2)22-15-9-12(3)5-6-13(15)20-17-16-14(18-10-19-17)7-8-21(16)4;1-10(2)22-14-8-11(17)4-5-12(14)20-16-15-13(18-9-19-16)6-7-21(15)3;1-9(2)22-15-11(4-5-12(16)20-15)19-14-13-10(17-8-18-14)6-7-21(13)3/h4-8,10-11H,1-3H3,(H,19,20,21);5-11H,1-4H3,(H,18,19,20);5-11H,1-4H3,(H,18,19,20);4-10H,1-3H3,(H,18,19,20);4-9H,1-3H3,(H,17,18,19)
• InChIKey: AAJKEZBTNKHRKQ-UHFFFAOYSA-N
• XLogP: 18.39
• TPSA: 305.76 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 21
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1550.68
LogP ≤ 5	18.39
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(6-chloro-2-propan-2-yloxy-3-pyridinyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(4-methoxy-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-methyl-N-(4-methyl-2-propan-2-yloxyphenyl)pyrrolo[3,2-d]pyrimidin-4-amine;4-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-3-propan-2-yloxybenzonitrile?

The IUPAC name of N-(4-chloro-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(6-chloro-2-propan-2-yloxy-3-pyridinyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(4-methoxy-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-methyl-N-(4-methyl-2-propan-2-yloxyphenyl)pyrrolo[3,2-d]pyrimidin-4-amine;4-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-3-propan-2-yloxybenzonitrile (CID 157052535) is N-(4-chloro-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(6-chloro-2-propan-2-yloxy-3-pyridinyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(4-methoxy-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-methyl-N-(4-methyl-2-propan-2-yloxyphenyl)pyrrolo[3,2-d]pyrimidin-4-amine;4-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-3-propan-2-yloxybenzonitrile.

What is the SMILES notation for N-(4-chloro-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(6-chloro-2-propan-2-yloxy-3-pyridinyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(4-methoxy-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-methyl-N-(4-methyl-2-propan-2-yloxyphenyl)pyrrolo[3,2-d]pyrimidin-4-amine;4-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-3-propan-2-yloxybenzonitrile?

The canonical SMILES for N-(4-chloro-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(6-chloro-2-propan-2-yloxy-3-pyridinyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(4-methoxy-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-methyl-N-(4-methyl-2-propan-2-yloxyphenyl)pyrrolo[3,2-d]pyrimidin-4-amine;4-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-3-propan-2-yloxybenzonitrile is CC(C)Oc1cc(C#N)ccc1Nc1ncnc2ccn(C)c12.CC(C)Oc1cc(Cl)ccc1Nc1ncnc2ccn(C)c12.CC(C)Oc1nc(Cl)ccc1Nc1ncnc2ccn(C)c12.COc1ccc(Nc2ncnc3ccn(C)c23)c(OC(C)C)c1.Cc1ccc(Nc2ncnc3ccn(C)c23)c(OC(C)C)c1.

What is the InChIKey of N-(4-chloro-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(6-chloro-2-propan-2-yloxy-3-pyridinyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(4-methoxy-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-methyl-N-(4-methyl-2-propan-2-yloxyphenyl)pyrrolo[3,2-d]pyrimidin-4-amine;4-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-3-propan-2-yloxybenzonitrile?

The InChIKey is AAJKEZBTNKHRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O.C17H20N4O2.C17H20N4O.C16H17ClN4O.C15H16ClN5O/c1-11(2)23-15-8-12(9-18)4-5-13(15)21-17-16-14(19-10-20-17)6-7-22(16)3;1-11(2)23-15-9-12(22-4)5-6-13(15)20-17-16-14(18-10-19-17)7-8-21(16)3;1-11(2)22-15-9-12(3)5-6-13(15)20-17-16-14(18-10-19-17)7-8-21(16)4;1-10(2)22-14-8-11(17)4-5-12(14)20-16-15-13(18-9-19-16)6-7-21(15)3;1-9(2)22-15-11(4-5-12(16)20-15)19-14-13-10(17-8-18-14)6-7-21(13)3/h4-8,10-11H,1-3H3,(H,19,20,21);5-11H,1-4H3,(H,18,19,20);5-11H,1-4H3,(H,18,19,20);4-10H,1-3H3,(H,18,19,20);4-9H,1-3H3,(H,17,18,19).

What are the key properties of N-(4-chloro-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(6-chloro-2-propan-2-yloxy-3-pyridinyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(4-methoxy-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-methyl-N-(4-methyl-2-propan-2-yloxyphenyl)pyrrolo[3,2-d]pyrimidin-4-amine;4-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-3-propan-2-yloxybenzonitrile?

N-(4-chloro-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(6-chloro-2-propan-2-yloxy-3-pyridinyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(4-methoxy-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-methyl-N-(4-methyl-2-propan-2-yloxyphenyl)pyrrolo[3,2-d]pyrimidin-4-amine;4-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-3-propan-2-yloxybenzonitrile has a molecular weight of 1550.68 g/mol, XLogP of 18.39, 21 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chloro-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(6-chloro-2-propan-2-yloxy-3-pyridinyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(4-methoxy-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-methyl-N-(4-methyl-2-propan-2-yloxyphenyl)pyrrolo[3,2-d]pyrimidin-4-amine;4-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-3-propan-2-yloxybenzonitrile is sourced from PubChem (CID 157052535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).