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

C10H15N3O2 — CID 136869195

IUPAC4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCC(C)(O)C2)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O2/c1-7-11-8(5-9(14)12-7)13-4-3-10(2,15)6-13/h5,15H,3-4,6H2,1-2H3,(H,11,12,14)
InChIKeyDAUGFLOPDXZFQF-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.04
Rot. Bonds1

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

4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136869195) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
PubChem CID136869195
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCC(C)(O)C2)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O2/c1-7-11-8(5-9(14)12-7)13-4-3-10(2,15)6-13/h5,15H,3-4,6H2,1-2H3,(H,11,12,14)
InChIKeyDAUGFLOPDXZFQF-UHFFFAOYSA-N
XLogP0.04
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.04
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-(hydroxymethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136647695
4-(3-methoxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136706901
4-(3,4-dihydroxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136766521
4-(3,4-dihydroxypyrrolidin-1-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136766528
4-[(2-hydroxy-2-methylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136819389
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-methyl-1H-pyrimidin-6-one
CID 136857369
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)-1H-pyrimidin-6-one
CID 136869196
2-cyclopropyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136869199
2-cyclopropyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136900932

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one (CID 136869195) is 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one is Cc1nc(N2CCC(C)(O)C2)cc(=O)[nH]1.
What is the InChIKey of 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is DAUGFLOPDXZFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-11-8(5-9(14)12-7)13-4-3-10(2,15)6-13/h5,15H,3-4,6H2,1-2H3,(H,11,12,14).
What are the key properties of 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.04, 1 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-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136869195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).