4-N-butyl-5-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-[(2-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(oxolan-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(thiophen-3-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine

C98H132N34O3S — CID 163899335

About 4-N-butyl-5-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-[(2-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(oxolan-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(thiophen-3-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine

4-N-butyl-5-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-[(2-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(oxolan-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(thiophen-3-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine (PubChem CID 163899335) has the molecular formula C98H132N34O3S and a molecular weight of 1866.44 g/mol. Its IUPAC name is 4-N-butyl-5-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-[(2-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(oxolan-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(thiophen-3-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-butyl-5-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-[(2-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(oxolan-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(thiophen-3-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 163899335
• Molecular Formula: C98H132N34O3S
• Molecular Weight: 1866.44 g/mol
• Exact Mass: 1865.09
• IUPAC Name: 4-N-butyl-5-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-[(2-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(oxolan-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(thiophen-3-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
• SMILES: CCCCNc1nc(N)nc2ccn(CC3CCCO3)c12.CCCCNc1nc(N)nc2ccn(CCN3CCOCC3)c12.CCCCNc1nc(N)nc2ccn(Cc3ccccc3OC)c12.CCCCNc1nc(N)nc2ccn(Cc3ccncc3)c12.CCCCNc1nc(N)nc2ccn(Cc3ccsc3)c12.CCCCNc1nc(N)nc2ccn(Cc3cn4ccccc4n3)c12
• InChI: InChI=1S/C18H21N7.C18H23N5O.C16H26N6O.C16H20N6.C15H23N5O.C15H19N5S/c1-2-3-8-20-17-16-14(22-18(19)23-17)7-10-25(16)12-13-11-24-9-5-4-6-15(24)21-13;1-3-4-10-20-17-16-14(21-18(19)22-17)9-11-23(16)12-13-7-5-6-8-15(13)24-2;1-2-3-5-18-15-14-13(19-16(17)20-15)4-6-22(14)8-7-21-9-11-23-12-10-21;1-2-3-7-19-15-14-13(20-16(17)21-15)6-10-22(14)11-12-4-8-18-9-5-12;1-2-3-7-17-14-13-12(18-15(16)19-14)6-8-20(13)10-11-5-4-9-21-11;1-2-3-6-17-14-13-12(18-15(16)19-14)4-7-20(13)9-11-5-8-21-10-11/h4-7,9-11H,2-3,8,12H2,1H3,(H3,19,20,22,23);5-9,11H,3-4,10,12H2,1-2H3,(H3,19,20,21,22);4,6H,2-3,5,7-12H2,1H3,(H3,17,18,19,20);4-6,8-10H,2-3,7,11H2,1H3,(H3,17,19,20,21);6,8,11H,2-5,7,9-10H2,1H3,(H3,16,17,18,19);4-5,7-8,10H,2-3,6,9H2,1H3,(H3,16,17,18,19)
• InChIKey: QILBGMRGBQLWEH-UHFFFAOYSA-N
• XLogP: 16.17
• TPSA: 473.68 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 38
• Rotatable Bonds: 38
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1866.44
LogP ≤ 5	16.17
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-5-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-[(2-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(oxolan-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(thiophen-3-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?

The IUPAC name of 4-N-butyl-5-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-[(2-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(oxolan-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(thiophen-3-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine (CID 163899335) is 4-N-butyl-5-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-[(2-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(oxolan-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(thiophen-3-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine.

What is the SMILES notation for 4-N-butyl-5-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-[(2-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(oxolan-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(thiophen-3-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?

The canonical SMILES for 4-N-butyl-5-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-[(2-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(oxolan-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(thiophen-3-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine is CCCCNc1nc(N)nc2ccn(CC3CCCO3)c12.CCCCNc1nc(N)nc2ccn(CCN3CCOCC3)c12.CCCCNc1nc(N)nc2ccn(Cc3ccccc3OC)c12.CCCCNc1nc(N)nc2ccn(Cc3ccncc3)c12.CCCCNc1nc(N)nc2ccn(Cc3ccsc3)c12.CCCCNc1nc(N)nc2ccn(Cc3cn4ccccc4n3)c12.

What is the InChIKey of 4-N-butyl-5-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-[(2-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(oxolan-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(thiophen-3-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?

The InChIKey is QILBGMRGBQLWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7.C18H23N5O.C16H26N6O.C16H20N6.C15H23N5O.C15H19N5S/c1-2-3-8-20-17-16-14(22-18(19)23-17)7-10-25(16)12-13-11-24-9-5-4-6-15(24)21-13;1-3-4-10-20-17-16-14(21-18(19)22-17)9-11-23(16)12-13-7-5-6-8-15(13)24-2;1-2-3-5-18-15-14-13(19-16(17)20-15)4-6-22(14)8-7-21-9-11-23-12-10-21;1-2-3-7-19-15-14-13(20-16(17)21-15)6-10-22(14)11-12-4-8-18-9-5-12;1-2-3-7-17-14-13-12(18-15(16)19-14)6-8-20(13)10-11-5-4-9-21-11;1-2-3-6-17-14-13-12(18-15(16)19-14)4-7-20(13)9-11-5-8-21-10-11/h4-7,9-11H,2-3,8,12H2,1H3,(H3,19,20,22,23);5-9,11H,3-4,10,12H2,1-2H3,(H3,19,20,21,22);4,6H,2-3,5,7-12H2,1H3,(H3,17,18,19,20);4-6,8-10H,2-3,7,11H2,1H3,(H3,17,19,20,21);6,8,11H,2-5,7,9-10H2,1H3,(H3,16,17,18,19);4-5,7-8,10H,2-3,6,9H2,1H3,(H3,16,17,18,19).

What are the key properties of 4-N-butyl-5-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-[(2-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(oxolan-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(thiophen-3-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?

4-N-butyl-5-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-[(2-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(oxolan-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(thiophen-3-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 1866.44 g/mol, XLogP of 16.17, 38 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-butyl-5-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-[(2-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(oxolan-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(thiophen-3-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 163899335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).