4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(3H-imidazo[4,5-c]pyridin-6-ylmethyl)pyrimidine-2,4-diamine

C17H17N9 — CID 123790838

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(3H-imidazo[4,5-c]pyridin-6-ylmethyl)pyrimidine-2,4-diamine
SMILESc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc3nc[nH]c3cn2)n1
InChIInChI=1S/C17H17N9/c1-2-10(1)12-6-16(26-25-12)23-15-3-4-18-17(24-15)20-7-11-5-13-14(8-19-11)22-9-21-13/h3-6,8-10H,1-2,7H2,(H,21,22)(H3,18,20,23,24,25,26)
InChIKeyARRVNGSQSJLNQC-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.70
Rot. Bonds6

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(3H-imidazo[4,5-c]pyridin-6-ylmethyl)pyrimidine-2,4-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(3H-imidazo[4,5-c]pyridin-6-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 123790838) has the molecular formula C17H17N9 and a molecular weight of 347.39 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(3H-imidazo[4,5-c]pyridin-6-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(3H-imidazo[4,5-c]pyridin-6-ylmethyl)pyrimidine-2,4-diamine
PubChem CID123790838
Molecular FormulaC17H17N9
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(3H-imidazo[4,5-c]pyridin-6-ylmethyl)pyrimidine-2,4-diamine
SMILESc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc3nc[nH]c3cn2)n1
InChIInChI=1S/C17H17N9/c1-2-10(1)12-6-16(26-25-12)23-15-3-4-18-17(24-15)20-7-11-5-13-14(8-19-11)22-9-21-13/h3-6,8-10H,1-2,7H2,(H,21,22)(H3,18,20,23,24,25,26)
InChIKeyARRVNGSQSJLNQC-UHFFFAOYSA-N
XLogP2.70
TPSA120.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methyl-1H-indol-4-yl)methyl]pyrimidine-2,4-diamine
CID 86694747
2-N-[amino(1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 123586243
2-N-[(4-chloro-1H-benzimidazol-5-yl)methyl]-4-N-[5-[(1R,2R)-2-fluorocyclopropyl]-1H-pyrazol-3-yl]pyrimidine-2,4-diamine
CID 71528886
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine
CID 71058316
4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-(1-cyclopropylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 171637789
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-ethyl-2-N-[1-(5H-pyrrolo[3,2-d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine
CID 78132840
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 70691734
2-N-[4-(2-aminopropan-2-yl)phenyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 71058238
4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-methylpyrimidine-2,4-diamine;ethane;methylcyclohexane
CID 154687415
4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-methylpyrimidine-2,4-diamine;2-methylbutane;molecular hydrogen
CID 169155625
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)pyrimidine-2,4-diamine
CID 123994546
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine
CID 59758109

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(3H-imidazo[4,5-c]pyridin-6-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(3H-imidazo[4,5-c]pyridin-6-ylmethyl)pyrimidine-2,4-diamine (CID 123790838) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(3H-imidazo[4,5-c]pyridin-6-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(3H-imidazo[4,5-c]pyridin-6-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(3H-imidazo[4,5-c]pyridin-6-ylmethyl)pyrimidine-2,4-diamine is c1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc3nc[nH]c3cn2)n1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(3H-imidazo[4,5-c]pyridin-6-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is ARRVNGSQSJLNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N9/c1-2-10(1)12-6-16(26-25-12)23-15-3-4-18-17(24-15)20-7-11-5-13-14(8-19-11)22-9-21-13/h3-6,8-10H,1-2,7H2,(H,21,22)(H3,18,20,23,24,25,26).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(3H-imidazo[4,5-c]pyridin-6-ylmethyl)pyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(3H-imidazo[4,5-c]pyridin-6-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 347.39 g/mol, XLogP of 2.70, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(3H-imidazo[4,5-c]pyridin-6-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 123790838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).