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

C7H11N3O — CID 135682069

IUPAC2,5-dimethyl-4-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1nc(C)[nH]c(=O)c1C
InChIInChI=1S/C7H11N3O/c1-4-6(8-3)9-5(2)10-7(4)11/h1-3H3,(H2,8,9,10,11)
InChIKeyIWQOXDOCDKFQSD-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.43
Rot. Bonds1

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

2,5-dimethyl-4-(methylamino)-1H-pyrimidin-6-one (PubChem CID 135682069) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 2,5-dimethyl-4-(methylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,5-dimethyl-4-(methylamino)-1H-pyrimidin-6-one
PubChem CID135682069
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name2,5-dimethyl-4-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1nc(C)[nH]c(=O)c1C
InChIInChI=1S/C7H11N3O/c1-4-6(8-3)9-5(2)10-7(4)11/h1-3H3,(H2,8,9,10,11)
InChIKeyIWQOXDOCDKFQSD-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 2,5-dimethyl-4-(methylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2,5-dimethyl-4-(methylamino)-1H-pyrimidin-6-one (CID 135682069) is 2,5-dimethyl-4-(methylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2,5-dimethyl-4-(methylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2,5-dimethyl-4-(methylamino)-1H-pyrimidin-6-one is CNc1nc(C)[nH]c(=O)c1C.
What is the InChIKey of 2,5-dimethyl-4-(methylamino)-1H-pyrimidin-6-one?
The InChIKey is IWQOXDOCDKFQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-4-6(8-3)9-5(2)10-7(4)11/h1-3H3,(H2,8,9,10,11).
What are the key properties of 2,5-dimethyl-4-(methylamino)-1H-pyrimidin-6-one?
2,5-dimethyl-4-(methylamino)-1H-pyrimidin-6-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 2,5-dimethyl-4-(methylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135682069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).