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

C9H13N3O2 — CID 105448882

IUPAC4-hydroxy-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(CC2CCNC2)[nH]1
InChIInChI=1S/C9H13N3O2/c13-8-4-9(14)12-7(11-8)3-6-1-2-10-5-6/h4,6,10H,1-3,5H2,(H2,11,12,13,14)
InChIKeyTULPBYIXOWOEPM-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.37
Rot. Bonds2

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

4-hydroxy-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 105448882) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-hydroxy-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one
PubChem CID105448882
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-hydroxy-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(CC2CCNC2)[nH]1
InChIInChI=1S/C9H13N3O2/c13-8-4-9(14)12-7(11-8)3-6-1-2-10-5-6/h4,6,10H,1-3,5H2,(H2,11,12,13,14)
InChIKeyTULPBYIXOWOEPM-UHFFFAOYSA-N
XLogP-0.37
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylpiperidin-4-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 22618160
4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one
CID 63554635
2-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
CID 63611403
2-(Cyclopropylmethyl)pyrimidine-4,6-diol
CID 80484346
4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one;hydrochloride
CID 153615359
4-hydroxy-2-(3-methylbutyl)-1H-pyrimidin-6-one
CID 55216240
4-hydroxy-2-piperidin-4-yl-1H-pyrimidin-6-one
CID 63555169
4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 63555529
4-hydroxy-2-pentan-3-yl-1H-pyrimidin-6-one
CID 63612933
2-Cyclobutyl-6-hydroxypyrimidin-4(3H)-one
CID 64982246
4-hydroxy-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 105439300
4-hydroxy-2-[3-(methylamino)propyl]-1H-pyrimidin-6-one
CID 105440519

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one (CID 105448882) is 4-hydroxy-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one is O=c1cc(O)nc(CC2CCNC2)[nH]1.
What is the InChIKey of 4-hydroxy-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is TULPBYIXOWOEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-8-4-9(14)12-7(11-8)3-6-1-2-10-5-6/h4,6,10H,1-3,5H2,(H2,11,12,13,14).
What are the key properties of 4-hydroxy-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one?
4-hydroxy-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 195.22 g/mol, XLogP of -0.37, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 105448882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).