4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one

C8H13N3O2 — CID 63553741

IUPAC4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
SMILESCC(C)NCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-5(2)9-4-6-10-7(12)3-8(13)11-6/h3,5,9H,4H2,1-2H3,(H2,10,11,12,13)
InChIKeyUSYNEERROASQPS-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.03
Rot. Bonds3

About 4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one

4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one (PubChem CID 63553741) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
PubChem CID63553741
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
SMILESCC(C)NCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-5(2)9-4-6-10-7(12)3-8(13)11-6/h3,5,9H,4H2,1-2H3,(H2,10,11,12,13)
InChIKeyUSYNEERROASQPS-UHFFFAOYSA-N
XLogP-0.03
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-(4-methylpentyl)-1H-pyrimidin-6-one
CID 127044148
(2S)-2-amino-3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid
CID 57367788
4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 63613771
4-hydroxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one
CID 63611571
ethane;2-[2-(4-ethylphenyl)ethyl]-4-hydroxy-1H-pyrimidin-6-one
CID 145305521
5-methyl-2-[(propan-2-ylamino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114455377
N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 55150957
N-[(6-bromo-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 60837050
4-hydroxy-2-(1H-indol-3-ylmethyl)-1H-pyrimidin-6-one
CID 67282201
N-[(5-bromo-6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 79630921
2-(4-bromo-3,5-dimethylphenyl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 136986915
4-hydroxy-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)disulfanyl]-1H-pyrimidin-6-one
CID 20587221

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one (CID 63553741) is 4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one is CC(C)NCc1nc(O)cc(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
The InChIKey is USYNEERROASQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5(2)9-4-6-10-7(12)3-8(13)11-6/h3,5,9H,4H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one has a molecular weight of 183.21 g/mol, XLogP of -0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 63553741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).