4,6-dimethyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]-1H-pyridin-2-one

C12H18N4O — CID 119129754

IUPAC4,6-dimethyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]-1H-pyridin-2-one
SMILESCc1cc(C)c(CNC2=NCCCN2)c(=O)[nH]1
InChIInChI=1S/C12H18N4O/c1-8-6-9(2)16-11(17)10(8)7-15-12-13-4-3-5-14-12/h6H,3-5,7H2,1-2H3,(H,16,17)(H2,13,14,15)
InChIKeyLFUHYMCAHBZXTE-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.43
Rot. Bonds2

About 4,6-dimethyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]-1H-pyridin-2-one

4,6-dimethyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]-1H-pyridin-2-one (PubChem CID 119129754) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4,6-dimethyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]-1H-pyridin-2-one
PubChem CID119129754
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4,6-dimethyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]-1H-pyridin-2-one
SMILESCc1cc(C)c(CNC2=NCCCN2)c(=O)[nH]1
InChIInChI=1S/C12H18N4O/c1-8-6-9(2)16-11(17)10(8)7-15-12-13-4-3-5-14-12/h6H,3-5,7H2,1-2H3,(H,16,17)(H2,13,14,15)
InChIKeyLFUHYMCAHBZXTE-UHFFFAOYSA-N
XLogP0.43
TPSA69.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]-1H-pyridin-2-one?
The IUPAC name of 4,6-dimethyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]-1H-pyridin-2-one (CID 119129754) is 4,6-dimethyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]-1H-pyridin-2-one?
The canonical SMILES for 4,6-dimethyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]-1H-pyridin-2-one is Cc1cc(C)c(CNC2=NCCCN2)c(=O)[nH]1.
What is the InChIKey of 4,6-dimethyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]-1H-pyridin-2-one?
The InChIKey is LFUHYMCAHBZXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8-6-9(2)16-11(17)10(8)7-15-12-13-4-3-5-14-12/h6H,3-5,7H2,1-2H3,(H,16,17)(H2,13,14,15).
What are the key properties of 4,6-dimethyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]-1H-pyridin-2-one?
4,6-dimethyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]-1H-pyridin-2-one has a molecular weight of 234.30 g/mol, XLogP of 0.43, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 119129754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).