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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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).