4-[2-(oxan-4-yl)pyrazol-3-yl]-N-pyrrolidin-3-ylpyrimidin-2-amine

C16H22N6O — CID 166300698

IUPAC4-[2-(oxan-4-yl)pyrazol-3-yl]-N-pyrrolidin-3-ylpyrimidin-2-amine
SMILESc1cc(-c2ccnn2C2CCOCC2)nc(NC2CCNC2)n1
InChIInChI=1S/C16H22N6O/c1-6-17-11-12(1)20-16-18-7-2-14(21-16)15-3-8-19-22(15)13-4-9-23-10-5-13/h2-3,7-8,12-13,17H,1,4-6,9-11H2,(H,18,20,21)
InChIKeyJGWNOQAUQJGXGO-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.47
Rot. Bonds4

About 4-[2-(oxan-4-yl)pyrazol-3-yl]-N-pyrrolidin-3-ylpyrimidin-2-amine

4-[2-(oxan-4-yl)pyrazol-3-yl]-N-pyrrolidin-3-ylpyrimidin-2-amine (PubChem CID 166300698) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-[2-(oxan-4-yl)pyrazol-3-yl]-N-pyrrolidin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(oxan-4-yl)pyrazol-3-yl]-N-pyrrolidin-3-ylpyrimidin-2-amine
PubChem CID166300698
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name4-[2-(oxan-4-yl)pyrazol-3-yl]-N-pyrrolidin-3-ylpyrimidin-2-amine
SMILESc1cc(-c2ccnn2C2CCOCC2)nc(NC2CCNC2)n1
InChIInChI=1S/C16H22N6O/c1-6-17-11-12(1)20-16-18-7-2-14(21-16)15-3-8-19-22(15)13-4-9-23-10-5-13/h2-3,7-8,12-13,17H,1,4-6,9-11H2,(H,18,20,21)
InChIKeyJGWNOQAUQJGXGO-UHFFFAOYSA-N
XLogP1.47
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-methylpyrazol-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine
CID 146989000
4-morpholin-4-yl-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 171340440
4-(1H-pyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine;hydrochloride
CID 153314143
4-(5-pyrazol-1-yl-3-pyridinyl)-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 167814770
N-[(3S)-piperidin-3-yl]-4-pyridazin-4-ylpyrimidin-2-amine
CID 175699091
4-cyclopropyl-N-piperidin-3-ylpyrimidin-2-amine
CID 83836771
4-chloro-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine
CID 71640268
4-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 167449964
4-(4-chlorophenyl)-N-piperidin-4-ylpyrimidin-2-amine
CID 54584009
3-(4-fluorophenyl)-4-[2-[(4-morpholin-4-ylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;hydrochloride
CID 11534169
N-[(3R)-pyrrolidin-3-yl]pyridin-4-amine
CID 89333322
4-(azepan-1-yl)-N-piperidin-3-ylpyrimidin-2-amine
CID 66903769

Frequently Asked Questions

What is the IUPAC name of 4-[2-(oxan-4-yl)pyrazol-3-yl]-N-pyrrolidin-3-ylpyrimidin-2-amine?
The IUPAC name of 4-[2-(oxan-4-yl)pyrazol-3-yl]-N-pyrrolidin-3-ylpyrimidin-2-amine (CID 166300698) is 4-[2-(oxan-4-yl)pyrazol-3-yl]-N-pyrrolidin-3-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[2-(oxan-4-yl)pyrazol-3-yl]-N-pyrrolidin-3-ylpyrimidin-2-amine?
The canonical SMILES for 4-[2-(oxan-4-yl)pyrazol-3-yl]-N-pyrrolidin-3-ylpyrimidin-2-amine is c1cc(-c2ccnn2C2CCOCC2)nc(NC2CCNC2)n1.
What is the InChIKey of 4-[2-(oxan-4-yl)pyrazol-3-yl]-N-pyrrolidin-3-ylpyrimidin-2-amine?
The InChIKey is JGWNOQAUQJGXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-6-17-11-12(1)20-16-18-7-2-14(21-16)15-3-8-19-22(15)13-4-9-23-10-5-13/h2-3,7-8,12-13,17H,1,4-6,9-11H2,(H,18,20,21).
What are the key properties of 4-[2-(oxan-4-yl)pyrazol-3-yl]-N-pyrrolidin-3-ylpyrimidin-2-amine?
4-[2-(oxan-4-yl)pyrazol-3-yl]-N-pyrrolidin-3-ylpyrimidin-2-amine has a molecular weight of 314.39 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(oxan-4-yl)pyrazol-3-yl]-N-pyrrolidin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 166300698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).