4-N-(4-methoxyphenyl)-4-N,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine

C15H17N5O — CID 44612038

IUPAC4-N-(4-methoxyphenyl)-4-N,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine
SMILESCOc1ccc(N(C)c2nc(N)nc3cc(C)[nH]c23)cc1
InChIInChI=1S/C15H17N5O/c1-9-8-12-13(17-9)14(19-15(16)18-12)20(2)10-4-6-11(21-3)7-5-10/h4-8,17H,1-3H3,(H2,16,18,19)
InChIKeyKQIWIWFKJWDFHW-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.63
Rot. Bonds3

About 4-N-(4-methoxyphenyl)-4-N,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine

4-N-(4-methoxyphenyl)-4-N,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine (PubChem CID 44612038) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 4-N-(4-methoxyphenyl)-4-N,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-methoxyphenyl)-4-N,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine
PubChem CID44612038
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name4-N-(4-methoxyphenyl)-4-N,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine
SMILESCOc1ccc(N(C)c2nc(N)nc3cc(C)[nH]c23)cc1
InChIInChI=1S/C15H17N5O/c1-9-8-12-13(17-9)14(19-15(16)18-12)20(2)10-4-6-11(21-3)7-5-10/h4-8,17H,1-3H3,(H2,16,18,19)
InChIKeyKQIWIWFKJWDFHW-UHFFFAOYSA-N
XLogP2.63
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(4-methoxyphenyl)-4-N,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

Byk-191023
CID 10308091
2-(2,6-Difluorophenoxy)-N-(2-fluorophenyl)-9-isopropyl-9H-purin-8-amine
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CID 52000
Anisiflupurin
CID 25169483
5-methoxy-2-methyl-1H-1,3-benzodiazole
CID 3509826
N'-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 943137
1-{9-isopropyl-6-[(4-methoxyphenyl)amino]-9H-purin-2-yl}-3-methylpent-1-yn-3-ol
CID 6538966
1-{6-[(4-ethoxyphenyl)amino]-9-isopropyl-9H-purin-2-yl}-3-methylpent-1-yn-3-ol
CID 6538967
9-cyclopentyl-N(8)-(2-fluorophenyl)-N(2)-(4-methoxyphenyl)-9H-purine-2,8-diamine
CID 11647397
3-(4-methoxyphenyl)-~{N}-[(3~{R})-1-pyridin-4-ylpyrrolidin-3-yl]-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
CID 86278982
trans-N-[3-(4-methoxy-phenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]-cyclohexane-1,4-diamine
CID 90389602
N-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110875107

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxyphenyl)-4-N,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-methoxyphenyl)-4-N,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine (CID 44612038) is 4-N-(4-methoxyphenyl)-4-N,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-methoxyphenyl)-4-N,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-methoxyphenyl)-4-N,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine is COc1ccc(N(C)c2nc(N)nc3cc(C)[nH]c23)cc1.
What is the InChIKey of 4-N-(4-methoxyphenyl)-4-N,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is KQIWIWFKJWDFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-9-8-12-13(17-9)14(19-15(16)18-12)20(2)10-4-6-11(21-3)7-5-10/h4-8,17H,1-3H3,(H2,16,18,19).
What are the key properties of 4-N-(4-methoxyphenyl)-4-N,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine?
4-N-(4-methoxyphenyl)-4-N,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 283.34 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxyphenyl)-4-N,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 44612038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).