N-cyclopentyl-4-(5-phenyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidin-2-amine

C21H24N4O — CID 16682192

IUPACN-cyclopentyl-4-(5-phenyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1cc(-c2cc(-c3ccccc3)on2)nc(NC2CCCC2)n1
InChIInChI=1S/C21H24N4O/c1-14(2)17-12-18(24-21(23-17)22-16-10-6-7-11-16)19-13-20(26-25-19)15-8-4-3-5-9-15/h3-5,8-9,12-14,16H,6-7,10-11H2,1-2H3,(H,22,23,24)
InChIKeyPOEFNQTVTXTIRX-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.28
Rot. Bonds5

About N-cyclopentyl-4-(5-phenyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidin-2-amine

N-cyclopentyl-4-(5-phenyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidin-2-amine (PubChem CID 16682192) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-cyclopentyl-4-(5-phenyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-4-(5-phenyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidin-2-amine
PubChem CID16682192
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-cyclopentyl-4-(5-phenyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1cc(-c2cc(-c3ccccc3)on2)nc(NC2CCCC2)n1
InChIInChI=1S/C21H24N4O/c1-14(2)17-12-18(24-21(23-17)22-16-10-6-7-11-16)19-13-20(26-25-19)15-8-4-3-5-9-15/h3-5,8-9,12-14,16H,6-7,10-11H2,1-2H3,(H,22,23,24)
InChIKeyPOEFNQTVTXTIRX-UHFFFAOYSA-N
XLogP5.28
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-Methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine
CID 2745721
Trans-4-{[4-(5-Methyl-3-Phenyl-1,2-Oxazol-4-Yl)pyrimidin-2-Yl]amino}cyclohexanol
CID 60138177
N1-[4-(3-phenylisoxazol-5-yl)pyrimidin-2-yl]acetamide
CID 2745719
N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]acetamide
CID 2745748
2-Pyrimidinamine, N-cyclohexyl-4-[3-phenyl-5-(1-piperidinylmethyl)-4-isoxazolyl]-
CID 10093433
N-[(3S,4S)-1-cyclopentyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141678092
N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-phenylazanyl-pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine
CID 146188223
N-(2-methoxyethyl)-4-(5-phenyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidin-2-amine
CID 16682033
N-benzyl-3-[2-(cyclopropylmethylamino)-6-isopropyl-pyrimidin-4-yl]isoxazole-5-carboxamide
CID 16682111
N-benzyl-3-[2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]-1,2-oxazole-5-carboxamide
CID 16682118
N-(cyclopropylmethyl)-4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)pyrimidin-2-amine
CID 16682187
4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-cyclopentyl-6-methylpyrimidin-2-amine
CID 16682189

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(5-phenyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidin-2-amine?
The IUPAC name of N-cyclopentyl-4-(5-phenyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidin-2-amine (CID 16682192) is N-cyclopentyl-4-(5-phenyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-cyclopentyl-4-(5-phenyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for N-cyclopentyl-4-(5-phenyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidin-2-amine is CC(C)c1cc(-c2cc(-c3ccccc3)on2)nc(NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-4-(5-phenyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidin-2-amine?
The InChIKey is POEFNQTVTXTIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-14(2)17-12-18(24-21(23-17)22-16-10-6-7-11-16)19-13-20(26-25-19)15-8-4-3-5-9-15/h3-5,8-9,12-14,16H,6-7,10-11H2,1-2H3,(H,22,23,24).
What are the key properties of N-cyclopentyl-4-(5-phenyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidin-2-amine?
N-cyclopentyl-4-(5-phenyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidin-2-amine has a molecular weight of 348.45 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(5-phenyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 16682192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).