4-hydroxy-5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one

C9H13N3O2 — CID 105448884

IUPAC4-hydroxy-5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(C2CCNC2)[nH]c1=O
InChIInChI=1S/C9H13N3O2/c1-5-8(13)11-7(12-9(5)14)6-2-3-10-4-6/h6,10H,2-4H2,1H3,(H2,11,12,13,14)
InChIKeyVTTAWSOIZHEVEM-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.14
Rot. Bonds1

About 4-hydroxy-5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one

4-hydroxy-5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one (PubChem CID 105448884) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
PubChem CID105448884
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-hydroxy-5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(C2CCNC2)[nH]c1=O
InChIInChI=1S/C9H13N3O2/c1-5-8(13)11-7(12-9(5)14)6-2-3-10-4-6/h6,10H,2-4H2,1H3,(H2,11,12,13,14)
InChIKeyVTTAWSOIZHEVEM-UHFFFAOYSA-N
XLogP-0.14
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 63553917
2-(2-aminoethyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 63554101
2-(2-Aminoethyl)-6-hydroxy-5-methyl-3,4-dihydropyrimidin-4-one
CID 63554281
2-(3-aminopropyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 63554284
2-(3-aminopropyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 63554461
2-(2-aminopropyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 63554468
4-hydroxy-5-methyl-2-piperidin-3-yl-1H-pyrimidin-6-one
CID 63554636
2-(3-aminopropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63554639
2-(2-aminopropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63554646
2-(1-aminopropan-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 63554820
2-(1-aminopropan-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 63555006
4-hydroxy-5-methyl-2-piperidin-4-yl-1H-pyrimidin-6-one
CID 63555170

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one (CID 105448884) is 4-hydroxy-5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one is Cc1c(O)nc(C2CCNC2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one?
The InChIKey is VTTAWSOIZHEVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-5-8(13)11-7(12-9(5)14)6-2-3-10-4-6/h6,10H,2-4H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-hydroxy-5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one?
4-hydroxy-5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one has a molecular weight of 195.22 g/mol, XLogP of -0.14, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 105448884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).