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

C12H17N3O2 — CID 136869199

IUPAC2-cyclopropyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1(O)CCN(c2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C12H17N3O2/c1-12(17)4-5-15(7-12)9-6-10(16)14-11(13-9)8-2-3-8/h6,8,17H,2-5,7H2,1H3,(H,13,14,16)
InChIKeyHASATPMMXUOSAH-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.61
Rot. Bonds2

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

2-cyclopropyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136869199) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-cyclopropyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136869199
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-cyclopropyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1(O)CCN(c2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C12H17N3O2/c1-12(17)4-5-15(7-12)9-6-10(16)14-11(13-9)8-2-3-8/h6,8,17H,2-5,7H2,1H3,(H,13,14,16)
InChIKeyHASATPMMXUOSAH-UHFFFAOYSA-N
XLogP0.61
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.61
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
2-cyclopropyl-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706909
2-cyclopropyl-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136766525
4-[(2-hydroxy-2-methylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136819385
2-cyclopropyl-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1H-pyrimidin-6-one
CID 136857374
2-cyclopropyl-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one
CID 136864255
2-ethyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136869192
4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136869193
4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136869195
2-cyclopropyl-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136870600

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one (CID 136869199) is 2-cyclopropyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one is CC1(O)CCN(c2cc(=O)[nH]c(C3CC3)n2)C1.
What is the InChIKey of 2-cyclopropyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is HASATPMMXUOSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-12(17)4-5-15(7-12)9-6-10(16)14-11(13-9)8-2-3-8/h6,8,17H,2-5,7H2,1H3,(H,13,14,16).
What are the key properties of 2-cyclopropyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 235.29 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136869199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).