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

C10H15N3O3 — CID 136766528

IUPAC4-(3,4-dihydroxypyrrolidin-1-yl)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N2CC(O)C(O)C2)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O3/c1-2-8-11-9(3-10(16)12-8)13-4-6(14)7(15)5-13/h3,6-7,14-15H,2,4-5H2,1H3,(H,11,12,16)
InChIKeyPTYHFTWBBOUHCI-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.13
Rot. Bonds2

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

4-(3,4-dihydroxypyrrolidin-1-yl)-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136766528) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-(3,4-dihydroxypyrrolidin-1-yl)-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3,4-dihydroxypyrrolidin-1-yl)-2-ethyl-1H-pyrimidin-6-one
PubChem CID136766528
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-(3,4-dihydroxypyrrolidin-1-yl)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N2CC(O)C(O)C2)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O3/c1-2-8-11-9(3-10(16)12-8)13-4-6(14)7(15)5-13/h3,6-7,14-15H,2,4-5H2,1H3,(H,11,12,16)
InChIKeyPTYHFTWBBOUHCI-UHFFFAOYSA-N
XLogP-1.13
TPSA89.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.13
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-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
4-(3,4-dihydroxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136766521
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
2-ethyl-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136783252
2-ethyl-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one
CID 136805768
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

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydroxypyrrolidin-1-yl)-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3,4-dihydroxypyrrolidin-1-yl)-2-ethyl-1H-pyrimidin-6-one (CID 136766528) is 4-(3,4-dihydroxypyrrolidin-1-yl)-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3,4-dihydroxypyrrolidin-1-yl)-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3,4-dihydroxypyrrolidin-1-yl)-2-ethyl-1H-pyrimidin-6-one is CCc1nc(N2CC(O)C(O)C2)cc(=O)[nH]1.
What is the InChIKey of 4-(3,4-dihydroxypyrrolidin-1-yl)-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is PTYHFTWBBOUHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-2-8-11-9(3-10(16)12-8)13-4-6(14)7(15)5-13/h3,6-7,14-15H,2,4-5H2,1H3,(H,11,12,16).
What are the key properties of 4-(3,4-dihydroxypyrrolidin-1-yl)-2-ethyl-1H-pyrimidin-6-one?
4-(3,4-dihydroxypyrrolidin-1-yl)-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 225.25 g/mol, XLogP of -1.13, 2 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-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136766528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).