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

C13H16N4O2S — CID 103943012

IUPACethyl 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NCc2ncc(C)s2)nc1C
InChIInChI=1S/C13H16N4O2S/c1-4-19-12(18)10-6-15-13(17-9(10)3)16-7-11-14-5-8(2)20-11/h5-6H,4,7H2,1-3H3,(H,15,16,17)
InChIKeyZIFAUDGXYSFPPB-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.34
Rot. Bonds5

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

ethyl 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-5-carboxylate (PubChem CID 103943012) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is ethyl 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-5-carboxylate
PubChem CID103943012
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Nameethyl 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NCc2ncc(C)s2)nc1C
InChIInChI=1S/C13H16N4O2S/c1-4-19-12(18)10-6-15-13(17-9(10)3)16-7-11-14-5-8(2)20-11/h5-6H,4,7H2,1-3H3,(H,15,16,17)
InChIKeyZIFAUDGXYSFPPB-UHFFFAOYSA-N
XLogP2.34
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)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

Related Compounds

ethyl 2-[(2-amino-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylate
CID 83181700
ethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate
CID 667203
ethyl 4-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxylate
CID 83178980
ethyl 2-(2-ethylbutylamino)-4-methylpyrimidine-5-carboxylate
CID 115967543
ethyl 4-methyl-2-[(6-methyl-3-pyridinyl)methylamino]pyrimidine-5-carboxylate
CID 83179210
ethyl 2-[(1-hydroxycyclopentyl)methylamino]-4-methylpyrimidine-5-carboxylate
CID 83180495
ethyl 4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]pyrimidine-5-carboxylate
CID 114700911
ethyl 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-4-methylpyrimidine-5-carboxylate
CID 104918606
ethyl 4-methyl-2-[(2-methylthiolan-2-yl)methylamino]pyrimidine-5-carboxylate
CID 83180321
ethyl 2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-4-methylpyrimidine-5-carboxylate
CID 83178579
ethyl 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-methylpyrimidine-5-carboxylate
CID 83178152
ethyl 2-[2-(5-bromothiophen-2-yl)ethylamino]-4-methylpyrimidine-5-carboxylate
CID 103915133

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-5-carboxylate (CID 103943012) is ethyl 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-5-carboxylate is CCOC(=O)c1cnc(NCc2ncc(C)s2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-5-carboxylate?
The InChIKey is ZIFAUDGXYSFPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-4-19-12(18)10-6-15-13(17-9(10)3)16-7-11-14-5-8(2)20-11/h5-6H,4,7H2,1-3H3,(H,15,16,17).
What are the key properties of ethyl 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-5-carboxylate?
ethyl 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-5-carboxylate has a molecular weight of 292.36 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-5-carboxylate is sourced from PubChem (CID 103943012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).