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

C12H16N4O2S — CID 61280807

IUPAC1,3-dimethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione
SMILESCc1ncc(CNCc2cn(C)c(=O)n(C)c2=O)s1
InChIInChI=1S/C12H16N4O2S/c1-8-14-6-10(19-8)5-13-4-9-7-15(2)12(18)16(3)11(9)17/h6-7,13H,4-5H2,1-3H3
InChIKeyYVZFXGMIQZNBCQ-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.14
Rot. Bonds4

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

1,3-dimethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione (PubChem CID 61280807) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione
PubChem CID61280807
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name1,3-dimethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione
SMILESCc1ncc(CNCc2cn(C)c(=O)n(C)c2=O)s1
InChIInChI=1S/C12H16N4O2S/c1-8-14-6-10(19-8)5-13-4-9-7-15(2)12(18)16(3)11(9)17/h6-7,13H,4-5H2,1-3H3
InChIKeyYVZFXGMIQZNBCQ-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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione (CID 61280807) is 1,3-dimethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione is Cc1ncc(CNCc2cn(C)c(=O)n(C)c2=O)s1.
What is the InChIKey of 1,3-dimethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione?
The InChIKey is YVZFXGMIQZNBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-8-14-6-10(19-8)5-13-4-9-7-15(2)12(18)16(3)11(9)17/h6-7,13H,4-5H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[[(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-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 61280807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).