4-[3,3-dimethyl-5-(4-methylimidazol-1-yl)-2H-pyrrolo[3,2-b]pyridin-1-yl]pyrimidin-2-amine

C17H19N7 — CID 163387196

IUPAC4-[3,3-dimethyl-5-(4-methylimidazol-1-yl)-2H-pyrrolo[3,2-b]pyridin-1-yl]pyrimidin-2-amine
SMILESCc1cn(-c2ccc3c(n2)C(C)(C)CN3c2ccnc(N)n2)cn1
InChIInChI=1S/C17H19N7/c1-11-8-23(10-20-11)13-5-4-12-15(21-13)17(2,3)9-24(12)14-6-7-19-16(18)22-14/h4-8,10H,9H2,1-3H3,(H2,18,19,22)
InChIKeyZMJJBUQSGVGRSC-UHFFFAOYSA-N
MW321.39 g/mol
LogP2.38
Rot. Bonds2

About 4-[3,3-dimethyl-5-(4-methylimidazol-1-yl)-2H-pyrrolo[3,2-b]pyridin-1-yl]pyrimidin-2-amine

4-[3,3-dimethyl-5-(4-methylimidazol-1-yl)-2H-pyrrolo[3,2-b]pyridin-1-yl]pyrimidin-2-amine (PubChem CID 163387196) has the molecular formula C17H19N7 and a molecular weight of 321.39 g/mol. Its IUPAC name is 4-[3,3-dimethyl-5-(4-methylimidazol-1-yl)-2H-pyrrolo[3,2-b]pyridin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3,3-dimethyl-5-(4-methylimidazol-1-yl)-2H-pyrrolo[3,2-b]pyridin-1-yl]pyrimidin-2-amine
PubChem CID163387196
Molecular FormulaC17H19N7
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Name4-[3,3-dimethyl-5-(4-methylimidazol-1-yl)-2H-pyrrolo[3,2-b]pyridin-1-yl]pyrimidin-2-amine
SMILESCc1cn(-c2ccc3c(n2)C(C)(C)CN3c2ccnc(N)n2)cn1
InChIInChI=1S/C17H19N7/c1-11-8-23(10-20-11)13-5-4-12-15(21-13)17(2,3)9-24(12)14-6-7-19-16(18)22-14/h4-8,10H,9H2,1-3H3,(H2,18,19,22)
InChIKeyZMJJBUQSGVGRSC-UHFFFAOYSA-N
XLogP2.38
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[3,3-dimethyl-5-(4-methylimidazol-1-yl)-2H-pyrrolo[3,2-b]pyridin-1-yl]pyrimidin-2-amine with MolForge

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Related Compounds

2-(4-methylimidazol-1-yl)pyridin-4-amine
CID 130056232
4-methyl-2-(4-methylimidazol-1-yl)pyrimidine
CID 21025903
1-(2-chloropyrimidin-4-yl)-5-methylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane]
CID 167100384
4-[[4-(4-methylimidazol-1-yl)pyrimidin-2-yl]amino]benzoic acid
CID 68851073
3-ethenyl-2-methyl-6-(4-methylimidazol-1-yl)pyridine
CID 166906317
1-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-(3,3,5-trimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)pyrimidin-2-yl]cyclohexa-3,5-diene-1,2,4-triamine
CID 175729038
1-(2-aminopyrimidin-4-yl)-2,3-dihydroindol-5-amine
CID 88992204
2-methyl-6-(4-methylimidazol-1-yl)-3-nitropyridine
CID 71235421
4-(azetidin-1-yl)pyrimidin-2-amine
CID 118975953
6-ethyl-2-methyl-3-(4-methylimidazol-1-yl)pyridine
CID 58105064
4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25128833
4-(tetrazol-1-yl)pyrimidin-2-amine
CID 118272412

Frequently Asked Questions

What is the IUPAC name of 4-[3,3-dimethyl-5-(4-methylimidazol-1-yl)-2H-pyrrolo[3,2-b]pyridin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-[3,3-dimethyl-5-(4-methylimidazol-1-yl)-2H-pyrrolo[3,2-b]pyridin-1-yl]pyrimidin-2-amine (CID 163387196) is 4-[3,3-dimethyl-5-(4-methylimidazol-1-yl)-2H-pyrrolo[3,2-b]pyridin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[3,3-dimethyl-5-(4-methylimidazol-1-yl)-2H-pyrrolo[3,2-b]pyridin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[3,3-dimethyl-5-(4-methylimidazol-1-yl)-2H-pyrrolo[3,2-b]pyridin-1-yl]pyrimidin-2-amine is Cc1cn(-c2ccc3c(n2)C(C)(C)CN3c2ccnc(N)n2)cn1.
What is the InChIKey of 4-[3,3-dimethyl-5-(4-methylimidazol-1-yl)-2H-pyrrolo[3,2-b]pyridin-1-yl]pyrimidin-2-amine?
The InChIKey is ZMJJBUQSGVGRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7/c1-11-8-23(10-20-11)13-5-4-12-15(21-13)17(2,3)9-24(12)14-6-7-19-16(18)22-14/h4-8,10H,9H2,1-3H3,(H2,18,19,22).
What are the key properties of 4-[3,3-dimethyl-5-(4-methylimidazol-1-yl)-2H-pyrrolo[3,2-b]pyridin-1-yl]pyrimidin-2-amine?
4-[3,3-dimethyl-5-(4-methylimidazol-1-yl)-2H-pyrrolo[3,2-b]pyridin-1-yl]pyrimidin-2-amine has a molecular weight of 321.39 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,3-dimethyl-5-(4-methylimidazol-1-yl)-2H-pyrrolo[3,2-b]pyridin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 163387196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).