4-hydroxy-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one

C10H15N3O2 — CID 105462839

IUPAC4-hydroxy-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1c(O)nc(CC2CCNC2)[nH]c1=O
InChIInChI=1S/C10H15N3O2/c1-6-9(14)12-8(13-10(6)15)4-7-2-3-11-5-7/h7,11H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyJSFGKEXPJXTHFW-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.06
Rot. Bonds2

About 4-hydroxy-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one

4-hydroxy-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 105462839) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one
PubChem CID105462839
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-hydroxy-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1c(O)nc(CC2CCNC2)[nH]c1=O
InChIInChI=1S/C10H15N3O2/c1-6-9(14)12-8(13-10(6)15)4-7-2-3-11-5-7/h7,11H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyJSFGKEXPJXTHFW-UHFFFAOYSA-N
XLogP-0.06
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 ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-Hydroxy-5-methyl-2-(2-methylcyclopropyl)pyrimidin-4(3H)-one
CID 10171286
2-cyclobutyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 10192604
2-Cyclopentyl-6-hydroxy-5-methyl-4(3h)-pyrimidinone
CID 10285855
2-(cyclopropylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 69036279
2-butyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 46734492
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
5-ethyl-4-hydroxy-2-piperidin-4-yl-1H-pyrimidin-6-one
CID 63554810
4-hydroxy-2-piperidin-4-yl-5-propan-2-yl-1H-pyrimidin-6-one
CID 63554995
4-hydroxy-5-methyl-2-piperidin-4-yl-1H-pyrimidin-6-one
CID 63555170
2-(1-aminopropan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63555179
5-ethyl-4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 63555350

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one (CID 105462839) is 4-hydroxy-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one is Cc1c(O)nc(CC2CCNC2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is JSFGKEXPJXTHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6-9(14)12-8(13-10(6)15)4-7-2-3-11-5-7/h7,11H,2-5H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-hydroxy-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one?
4-hydroxy-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of -0.06, 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-3-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 105462839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).