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

C6H9N3O2 — CID 63553729

IUPAC4-hydroxy-5-methyl-2-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C6H9N3O2/c1-3-4(10)8-6(7-2)9-5(3)11/h1-2H3,(H3,7,8,9,10,11)
InChIKeyKLBILOUKFQHSQP-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.17
Rot. Bonds1

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

4-hydroxy-5-methyl-2-(methylamino)-1H-pyrimidin-6-one (PubChem CID 63553729) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-2-(methylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-2-(methylamino)-1H-pyrimidin-6-one
PubChem CID63553729
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name4-hydroxy-5-methyl-2-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C6H9N3O2/c1-3-4(10)8-6(7-2)9-5(3)11/h1-2H3,(H3,7,8,9,10,11)
InChIKeyKLBILOUKFQHSQP-UHFFFAOYSA-N
XLogP-0.17
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethyl-2-(methylamino)-1H-pyrimidin-6-one
CID 135401759
2-Amino-6-hydroxy-5-methyl-1H-pyrimidin-4-one
CID 81111
2-Amino-4,6-dihydroxy-5-ethylpyrimidine
CID 3613556
5-Methylpyrimidine-4,6-diol
CID 581007
5-fluoro-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one
CID 80550834
Carbanide;4-hydroxy-5-methyl-1,2-dihydropyrimidin-2-id-6-one;yttrium
CID 57964863
2-amino-5-methyl-4-(methylamino)-1H-pyrimidin-6-one
CID 136018368
4-amino-2-(dimethylamino)-5-methyl-1H-pyrimidin-6-one;hydrate;hydrochloride
CID 136462319
4-amino-2-(dimethylamino)-5-methyl-1H-pyrimidin-6-one;hydrochloride
CID 136469216
2-amino-4-(ethylamino)-5-methyl-1H-pyrimidin-6-one
CID 149189598
N'-(2-amino-5-methyl-6-oxo-1H-pyrimidin-4-yl)methanimidamide
CID 173827343
2-(Dimethylamino)-5-methylpyrimidine-4,6-diol
CID 4167791

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-2-(methylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-methyl-2-(methylamino)-1H-pyrimidin-6-one (CID 63553729) is 4-hydroxy-5-methyl-2-(methylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-methyl-2-(methylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-methyl-2-(methylamino)-1H-pyrimidin-6-one is CNc1nc(O)c(C)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-5-methyl-2-(methylamino)-1H-pyrimidin-6-one?
The InChIKey is KLBILOUKFQHSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-3-4(10)8-6(7-2)9-5(3)11/h1-2H3,(H3,7,8,9,10,11).
What are the key properties of 4-hydroxy-5-methyl-2-(methylamino)-1H-pyrimidin-6-one?
4-hydroxy-5-methyl-2-(methylamino)-1H-pyrimidin-6-one has a molecular weight of 155.16 g/mol, XLogP of -0.17, 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-(methylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 63553729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).