4,6-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrimidin-2-one

C13H17N5O — CID 80654493

IUPAC4,6-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrimidin-2-one
SMILESCNc1cc(C)nc(Cn2c(C)cc(C)nc2=O)n1
InChIInChI=1S/C13H17N5O/c1-8-5-10(3)18(13(19)16-8)7-12-15-9(2)6-11(14-4)17-12/h5-6H,7H2,1-4H3,(H,14,15,17)
InChIKeyUWVCNKIXMVXDJK-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.05
Rot. Bonds3

About 4,6-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrimidin-2-one

4,6-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrimidin-2-one (PubChem CID 80654493) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 4,6-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrimidin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrimidin-2-one
PubChem CID80654493
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name4,6-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrimidin-2-one
SMILESCNc1cc(C)nc(Cn2c(C)cc(C)nc2=O)n1
InChIInChI=1S/C13H17N5O/c1-8-5-10(3)18(13(19)16-8)7-12-15-9(2)6-11(14-4)17-12/h5-6H,7H2,1-4H3,(H,14,15,17)
InChIKeyUWVCNKIXMVXDJK-UHFFFAOYSA-N
XLogP1.05
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrimidin-2-one?
The IUPAC name of 4,6-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrimidin-2-one (CID 80654493) is 4,6-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrimidin-2-one.
What is the SMILES notation for 4,6-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrimidin-2-one?
The canonical SMILES for 4,6-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrimidin-2-one is CNc1cc(C)nc(Cn2c(C)cc(C)nc2=O)n1.
What is the InChIKey of 4,6-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrimidin-2-one?
The InChIKey is UWVCNKIXMVXDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-8-5-10(3)18(13(19)16-8)7-12-15-9(2)6-11(14-4)17-12/h5-6H,7H2,1-4H3,(H,14,15,17).
What are the key properties of 4,6-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrimidin-2-one?
4,6-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrimidin-2-one has a molecular weight of 259.31 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrimidin-2-one is sourced from PubChem (CID 80654493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).