2-N-benzyl-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

C17H18N6 — CID 70695926

IUPAC2-N-benzyl-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESc1ccc(CNc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1
InChIInChI=1S/C17H18N6/c1-2-4-12(5-3-1)11-19-17-18-9-8-15(21-17)20-16-10-14(22-23-16)13-6-7-13/h1-5,8-10,13H,6-7,11H2,(H3,18,19,20,21,22,23)
InChIKeyOIMKFLPRSBFHMX-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.43
Rot. Bonds6

About 2-N-benzyl-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

2-N-benzyl-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 70695926) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-N-benzyl-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
PubChem CID70695926
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC Name2-N-benzyl-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESc1ccc(CNc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1
InChIInChI=1S/C17H18N6/c1-2-4-12(5-3-1)11-19-17-18-9-8-15(21-17)20-16-10-14(22-23-16)13-6-7-13/h1-5,8-10,13H,6-7,11H2,(H3,18,19,20,21,22,23)
InChIKeyOIMKFLPRSBFHMX-UHFFFAOYSA-N
XLogP3.43
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Enmd-2076
CID 16041424
AZ-960
CID 25099184
(S)-5-fluoro-2-(1-(5-fluoropyridin-2-yl)ethylamino)-6-(5-methyl-1H-pyrazol-3-ylamino)nicotinonitrile
CID 53232451
1-[4-({4-[(5-cyclopentyl-1H-pyrazol-3-yl)imino]-1,4-dihydropyrimidin-2-yl}amino)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 77232197
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10249180
3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10339710
(3S)-3-({5-Chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}amino)-3-(4-fluorophenyl)-N-methylpropanamide
CID 11441796
(2R)-2-({5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}amino)-2-(4-fluorophenyl)ethan-1-ol
CID 11978451
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
2-N-benzyl-5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 24949247

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-benzyl-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (CID 70695926) is 2-N-benzyl-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is c1ccc(CNc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1.
What is the InChIKey of 2-N-benzyl-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is OIMKFLPRSBFHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c1-2-4-12(5-3-1)11-19-17-18-9-8-15(21-17)20-16-10-14(22-23-16)13-6-7-13/h1-5,8-10,13H,6-7,11H2,(H3,18,19,20,21,22,23).
What are the key properties of 2-N-benzyl-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
2-N-benzyl-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 306.37 g/mol, XLogP of 3.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 70695926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).