6-(azetidin-1-yl)-2-cyclohexyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

C17H24N6 — CID 24991599

IUPAC6-(azetidin-1-yl)-2-cyclohexyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2cc(N3CCC3)nc(C3CCCCC3)n2)n[nH]1
InChIInChI=1S/C17H24N6/c1-12-10-15(22-21-12)18-14-11-16(23-8-5-9-23)20-17(19-14)13-6-3-2-4-7-13/h10-11,13H,2-9H2,1H3,(H2,18,19,20,21,22)
InChIKeyCLVIADABLTYPLQ-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.51
Rot. Bonds4

About 6-(azetidin-1-yl)-2-cyclohexyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

6-(azetidin-1-yl)-2-cyclohexyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 24991599) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-(azetidin-1-yl)-2-cyclohexyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(azetidin-1-yl)-2-cyclohexyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
PubChem CID24991599
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name6-(azetidin-1-yl)-2-cyclohexyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2cc(N3CCC3)nc(C3CCCCC3)n2)n[nH]1
InChIInChI=1S/C17H24N6/c1-12-10-15(22-21-12)18-14-11-16(23-8-5-9-23)20-17(19-14)13-6-3-2-4-7-13/h10-11,13H,2-9H2,1H3,(H2,18,19,20,21,22)
InChIKeyCLVIADABLTYPLQ-UHFFFAOYSA-N
XLogP3.51
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyridin-2-amine
CID 144988154
3-[(1S,5R)-3-[[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 146646458
1-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(E)-2-phenylethenyl]pyrimidin-4-yl]azepan-4-ol
CID 143436235
cyclohexyl-[(3R)-3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone
CID 95842111
2-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 25125406
cyclohexyl-[(2R)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 95820169
2-(2,6-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;molecular hydrogen
CID 158429950
N-cyclopentyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868596
[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 125009366
tert-butyl 2-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]acetate
CID 59611736
N-(5-methyl-1H-pyrazol-3-yl)-6-(3-methylpyrrolidin-1-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine
CID 89062021
6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-(4-methylsulfonylphenyl)pyrimidin-4-amine
CID 25128353

Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-1-yl)-2-cyclohexyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-(azetidin-1-yl)-2-cyclohexyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 24991599) is 6-(azetidin-1-yl)-2-cyclohexyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(azetidin-1-yl)-2-cyclohexyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(azetidin-1-yl)-2-cyclohexyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is Cc1cc(Nc2cc(N3CCC3)nc(C3CCCCC3)n2)n[nH]1.
What is the InChIKey of 6-(azetidin-1-yl)-2-cyclohexyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is CLVIADABLTYPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-12-10-15(22-21-12)18-14-11-16(23-8-5-9-23)20-17(19-14)13-6-3-2-4-7-13/h10-11,13H,2-9H2,1H3,(H2,18,19,20,21,22).
What are the key properties of 6-(azetidin-1-yl)-2-cyclohexyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
6-(azetidin-1-yl)-2-cyclohexyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 312.42 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-1-yl)-2-cyclohexyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 24991599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).