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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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).