4-(3,4-dihydroxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one

C9H13N3O3 — CID 136766521

IUPAC4-(3,4-dihydroxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CC(O)C(O)C2)cc(=O)[nH]1
InChIInChI=1S/C9H13N3O3/c1-5-10-8(2-9(15)11-5)12-3-6(13)7(14)4-12/h2,6-7,13-14H,3-4H2,1H3,(H,10,11,15)
InChIKeyBZABZNYJLCTBKA-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.38
Rot. Bonds1

About 4-(3,4-dihydroxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one

4-(3,4-dihydroxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136766521) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-(3,4-dihydroxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3,4-dihydroxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
PubChem CID136766521
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name4-(3,4-dihydroxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CC(O)C(O)C2)cc(=O)[nH]1
InChIInChI=1S/C9H13N3O3/c1-5-10-8(2-9(15)11-5)12-3-6(13)7(14)4-12/h2,6-7,13-14H,3-4H2,1H3,(H,10,11,15)
InChIKeyBZABZNYJLCTBKA-UHFFFAOYSA-N
XLogP-1.38
TPSA89.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-ethyl-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706906
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)-1H-pyrimidin-6-one
CID 136766527
4-(3,4-dihydroxypyrrolidin-1-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136766528
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
2-cyclopropyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136900932
4-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136900933
4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136900936

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydroxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3,4-dihydroxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one (CID 136766521) is 4-(3,4-dihydroxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3,4-dihydroxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3,4-dihydroxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one is Cc1nc(N2CC(O)C(O)C2)cc(=O)[nH]1.
What is the InChIKey of 4-(3,4-dihydroxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is BZABZNYJLCTBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-5-10-8(2-9(15)11-5)12-3-6(13)7(14)4-12/h2,6-7,13-14H,3-4H2,1H3,(H,10,11,15).
What are the key properties of 4-(3,4-dihydroxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
4-(3,4-dihydroxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 211.22 g/mol, XLogP of -1.38, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydroxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136766521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).