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

C12H19IN4O — CID 119129753

IUPAC4,6-dimethyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]-1H-pyridin-2-one;hydroiodide
SMILESCc1cc(C)c(CNC2=NCCCN2)c(=O)[nH]1.I
InChIInChI=1S/C12H18N4O.HI/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);1H
InChIKeyYHUUIARQTPIUIK-UHFFFAOYSA-N
MW362.22 g/mol
LogP1.05
Rot. Bonds2

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

4,6-dimethyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]-1H-pyridin-2-one;hydroiodide (PubChem CID 119129753) has the molecular formula C12H19IN4O and a molecular weight of 362.22 g/mol. Its IUPAC name is 4,6-dimethyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]-1H-pyridin-2-one;hydroiodide.

Molecular Properties

Compound Name4,6-dimethyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]-1H-pyridin-2-one;hydroiodide
PubChem CID119129753
Molecular FormulaC12H19IN4O
Molecular Weight362.22 g/mol
Exact Mass362.06
IUPAC Name4,6-dimethyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]-1H-pyridin-2-one;hydroiodide
SMILESCc1cc(C)c(CNC2=NCCCN2)c(=O)[nH]1.I
InChIInChI=1S/C12H18N4O.HI/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);1H
InChIKeyYHUUIARQTPIUIK-UHFFFAOYSA-N
XLogP1.05
TPSA69.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4,6-dimethyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]-1H-pyridin-2-one;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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;hydroiodide?
The IUPAC name of 4,6-dimethyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]-1H-pyridin-2-one;hydroiodide (CID 119129753) is 4,6-dimethyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]-1H-pyridin-2-one;hydroiodide.
What is the SMILES notation for 4,6-dimethyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]-1H-pyridin-2-one;hydroiodide?
The canonical SMILES for 4,6-dimethyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]-1H-pyridin-2-one;hydroiodide is Cc1cc(C)c(CNC2=NCCCN2)c(=O)[nH]1.I.
What is the InChIKey of 4,6-dimethyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]-1H-pyridin-2-one;hydroiodide?
The InChIKey is YHUUIARQTPIUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O.HI/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);1H.
What are the key properties of 4,6-dimethyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]-1H-pyridin-2-one;hydroiodide?
4,6-dimethyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]-1H-pyridin-2-one;hydroiodide has a molecular weight of 362.22 g/mol, XLogP of 1.05, 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;hydroiodide is sourced from PubChem (CID 119129753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).