1,3-dimethyl-6-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione

C12H16N4O2S — CID 61280241

IUPAC1,3-dimethyl-6-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione
SMILESCc1ncc(CNCc2cc(=O)n(C)c(=O)n2C)s1
InChIInChI=1S/C12H16N4O2S/c1-8-14-7-10(19-8)6-13-5-9-4-11(17)16(3)12(18)15(9)2/h4,7,13H,5-6H2,1-3H3
InChIKeyPZHGOPQUOAKMBK-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.14
Rot. Bonds4

About 1,3-dimethyl-6-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione (PubChem CID 61280241) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1,3-dimethyl-6-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione
PubChem CID61280241
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name1,3-dimethyl-6-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione
SMILESCc1ncc(CNCc2cc(=O)n(C)c(=O)n2C)s1
InChIInChI=1S/C12H16N4O2S/c1-8-14-7-10(19-8)6-13-5-9-4-11(17)16(3)12(18)15(9)2/h4,7,13H,5-6H2,1-3H3
InChIKeyPZHGOPQUOAKMBK-UHFFFAOYSA-N
XLogP0.14
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,3-dimethyl-6-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione 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 1,3-dimethyl-6-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione (CID 61280241) is 1,3-dimethyl-6-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione is Cc1ncc(CNCc2cc(=O)n(C)c(=O)n2C)s1.
What is the InChIKey of 1,3-dimethyl-6-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione?
The InChIKey is PZHGOPQUOAKMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-8-14-7-10(19-8)6-13-5-9-4-11(17)16(3)12(18)15(9)2/h4,7,13H,5-6H2,1-3H3.
What are the key properties of 1,3-dimethyl-6-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione has a molecular weight of 280.35 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 61280241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).