4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one

C12H19N3O2 — CID 136869193

IUPAC4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCC(C)(O)C2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-8(2)11-13-9(6-10(16)14-11)15-5-4-12(3,17)7-15/h6,8,17H,4-5,7H2,1-3H3,(H,13,14,16)
InChIKeyPEKMEYHFVANQLE-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.85
Rot. Bonds2

About 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one

4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136869193) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136869193
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCC(C)(O)C2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-8(2)11-13-9(6-10(16)14-11)15-5-4-12(3,17)7-15/h6,8,17H,4-5,7H2,1-3H3,(H,13,14,16)
InChIKeyPEKMEYHFVANQLE-UHFFFAOYSA-N
XLogP0.85
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136949005
2-cyclopropyl-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706903
4-(3-methoxypyrrolidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136706907
4-(3,4-dimethoxypyrrolidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136706912
2-cyclopropyl-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136766525
4-(3,4-dihydroxypyrrolidin-1-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136766528
4-[(2-hydroxy-2-methylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136819385
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136857368
2-cyclopropyl-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1H-pyrimidin-6-one
CID 136857374
4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136864251
2-ethyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136869192
4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136869195

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136869193) is 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N2CCC(C)(O)C2)cc(=O)[nH]1.
What is the InChIKey of 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is PEKMEYHFVANQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(2)11-13-9(6-10(16)14-11)15-5-4-12(3,17)7-15/h6,8,17H,4-5,7H2,1-3H3,(H,13,14,16).
What are the key properties of 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136869193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).