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

C12H14N4O3S — CID 136571606

IUPACmethyl 4-[(3-methoxy-1,2-thiazol-4-yl)methyl-methylamino]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cncnc1N(C)Cc1csnc1OC
InChIInChI=1S/C12H14N4O3S/c1-16(5-8-6-20-15-11(8)18-2)10-9(12(17)19-3)4-13-7-14-10/h4,6-7H,5H2,1-3H3
InChIKeyPJKAFTYGRYZSEJ-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.36
Rot. Bonds5

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

methyl 4-[(3-methoxy-1,2-thiazol-4-yl)methyl-methylamino]pyrimidine-5-carboxylate (PubChem CID 136571606) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is methyl 4-[(3-methoxy-1,2-thiazol-4-yl)methyl-methylamino]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3-methoxy-1,2-thiazol-4-yl)methyl-methylamino]pyrimidine-5-carboxylate
PubChem CID136571606
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Namemethyl 4-[(3-methoxy-1,2-thiazol-4-yl)methyl-methylamino]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cncnc1N(C)Cc1csnc1OC
InChIInChI=1S/C12H14N4O3S/c1-16(5-8-6-20-15-11(8)18-2)10-9(12(17)19-3)4-13-7-14-10/h4,6-7H,5H2,1-3H3
InChIKeyPJKAFTYGRYZSEJ-UHFFFAOYSA-N
XLogP1.36
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 4-[(3-methoxy-1,2-thiazol-4-yl)methyl-methylamino]pyrimidine-5-carboxylate 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 methyl 4-[(3-methoxy-1,2-thiazol-4-yl)methyl-methylamino]pyrimidine-5-carboxylate?
The IUPAC name of methyl 4-[(3-methoxy-1,2-thiazol-4-yl)methyl-methylamino]pyrimidine-5-carboxylate (CID 136571606) is methyl 4-[(3-methoxy-1,2-thiazol-4-yl)methyl-methylamino]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-[(3-methoxy-1,2-thiazol-4-yl)methyl-methylamino]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-[(3-methoxy-1,2-thiazol-4-yl)methyl-methylamino]pyrimidine-5-carboxylate is COC(=O)c1cncnc1N(C)Cc1csnc1OC.
What is the InChIKey of methyl 4-[(3-methoxy-1,2-thiazol-4-yl)methyl-methylamino]pyrimidine-5-carboxylate?
The InChIKey is PJKAFTYGRYZSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-16(5-8-6-20-15-11(8)18-2)10-9(12(17)19-3)4-13-7-14-10/h4,6-7H,5H2,1-3H3.
What are the key properties of methyl 4-[(3-methoxy-1,2-thiazol-4-yl)methyl-methylamino]pyrimidine-5-carboxylate?
methyl 4-[(3-methoxy-1,2-thiazol-4-yl)methyl-methylamino]pyrimidine-5-carboxylate has a molecular weight of 294.34 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-methoxy-1,2-thiazol-4-yl)methyl-methylamino]pyrimidine-5-carboxylate is sourced from PubChem (CID 136571606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).