4-hydroxy-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one

C10H15N3O2 — CID 105462841

IUPAC4-hydroxy-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1c(O)nc(CC2CCCN2)[nH]c1=O
InChIInChI=1S/C10H15N3O2/c1-6-9(14)12-8(13-10(6)15)5-7-3-2-4-11-7/h7,11H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyCCTVCEHMABRUFQ-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.08
Rot. Bonds2

About 4-hydroxy-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one

4-hydroxy-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 105462841) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID105462841
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-hydroxy-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1c(O)nc(CC2CCCN2)[nH]c1=O
InChIInChI=1S/C10H15N3O2/c1-6-9(14)12-8(13-10(6)15)5-7-3-2-4-11-7/h7,11H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyCCTVCEHMABRUFQ-UHFFFAOYSA-N
XLogP0.08
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminobutyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
CID 80550517
5-fluoro-4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 80550946
4-hydroxy-5-methyl-2-piperidin-2-yl-1H-pyrimidin-6-one
CID 63554279
2-(2-aminopropyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 63554466
2-(2-aminopropyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 63554467
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-Aminopropyl)-6-hydroxy-5-methylpyrimidin-4(3H)-one
CID 63555002
5-ethyl-4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 63555350
4-hydroxy-5-propyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 63555351
4-hydroxy-5-propan-2-yl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 63555352
2-(2-aminobutyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 63555360

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one (CID 105462841) is 4-hydroxy-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one is Cc1c(O)nc(CC2CCCN2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is CCTVCEHMABRUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6-9(14)12-8(13-10(6)15)5-7-3-2-4-11-7/h7,11H,2-5H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-hydroxy-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one?
4-hydroxy-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.08, 2 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-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 105462841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).