4,6-dimethyl-5-(methylamino)-1H-pyrimidin-2-one

C7H11N3O — CID 147755232

IUPAC4,6-dimethyl-5-(methylamino)-1H-pyrimidin-2-one
SMILESCNc1c(C)nc(=O)[nH]c1C
InChIInChI=1S/C7H11N3O/c1-4-6(8-3)5(2)10-7(11)9-4/h8H,1-3H3,(H,9,10,11)
InChIKeyHCZFFAQIZNPABD-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.43
Rot. Bonds1

About 4,6-dimethyl-5-(methylamino)-1H-pyrimidin-2-one

4,6-dimethyl-5-(methylamino)-1H-pyrimidin-2-one (PubChem CID 147755232) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 4,6-dimethyl-5-(methylamino)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-5-(methylamino)-1H-pyrimidin-2-one
PubChem CID147755232
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name4,6-dimethyl-5-(methylamino)-1H-pyrimidin-2-one
SMILESCNc1c(C)nc(=O)[nH]c1C
InChIInChI=1S/C7H11N3O/c1-4-6(8-3)5(2)10-7(11)9-4/h8H,1-3H3,(H,9,10,11)
InChIKeyHCZFFAQIZNPABD-UHFFFAOYSA-N
XLogP0.43
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4,6-dimethyl-1H-pyrimidin-2-one
CID 608811
5-amino-6-methyl-4-(methylamino)-1H-pyrimidin-2-one
CID 131028516
5-chloro-4,6-dimethyl-1H-pyrimidin-2-one;hydrochloride
CID 21405088
N,3,5-trimethyl-1H-pyrazol-4-amine;hydrochloride
CID 56773738
5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidin-2-one
CID 82503870
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79253049
3-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-2-methylpropanoic acid
CID 62674437
4,5-dimethyl-2-(methylamino)-1H-pyrimidin-6-one
CID 135401759
ethyl 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetate
CID 7063845
methyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-3-methylbutanoate
CID 43408263
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid
CID 43355414
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)acetamide
CID 43500358

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-(methylamino)-1H-pyrimidin-2-one?
The IUPAC name of 4,6-dimethyl-5-(methylamino)-1H-pyrimidin-2-one (CID 147755232) is 4,6-dimethyl-5-(methylamino)-1H-pyrimidin-2-one.
What is the SMILES notation for 4,6-dimethyl-5-(methylamino)-1H-pyrimidin-2-one?
The canonical SMILES for 4,6-dimethyl-5-(methylamino)-1H-pyrimidin-2-one is CNc1c(C)nc(=O)[nH]c1C.
What is the InChIKey of 4,6-dimethyl-5-(methylamino)-1H-pyrimidin-2-one?
The InChIKey is HCZFFAQIZNPABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-4-6(8-3)5(2)10-7(11)9-4/h8H,1-3H3,(H,9,10,11).
What are the key properties of 4,6-dimethyl-5-(methylamino)-1H-pyrimidin-2-one?
4,6-dimethyl-5-(methylamino)-1H-pyrimidin-2-one has a molecular weight of 153.18 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5-(methylamino)-1H-pyrimidin-2-one is sourced from PubChem (CID 147755232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).