ethyl 4-amino-2-(1,3-thiazol-4-yl)pyrimidine-5-carboxylate

C10H10N4O2S — CID 116646861

IUPACethyl 4-amino-2-(1,3-thiazol-4-yl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cscn2)nc1N
InChIInChI=1S/C10H10N4O2S/c1-2-16-10(15)6-3-12-9(14-8(6)11)7-4-17-5-13-7/h3-5H,2H2,1H3,(H2,11,12,14)
InChIKeyQBXRYVVZGASOBR-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.36
Rot. Bonds3

About ethyl 4-amino-2-(1,3-thiazol-4-yl)pyrimidine-5-carboxylate

ethyl 4-amino-2-(1,3-thiazol-4-yl)pyrimidine-5-carboxylate (PubChem CID 116646861) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is ethyl 4-amino-2-(1,3-thiazol-4-yl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-(1,3-thiazol-4-yl)pyrimidine-5-carboxylate
PubChem CID116646861
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Nameethyl 4-amino-2-(1,3-thiazol-4-yl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cscn2)nc1N
InChIInChI=1S/C10H10N4O2S/c1-2-16-10(15)6-3-12-9(14-8(6)11)7-4-17-5-13-7/h3-5H,2H2,1H3,(H2,11,12,14)
InChIKeyQBXRYVVZGASOBR-UHFFFAOYSA-N
XLogP1.36
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-amino-2-(4-bromo-3,5-dimethylphenyl)pyrimidine-5-carboxylate
CID 114331281
ethyl 4-amino-2-(3,4,5-trifluorophenyl)pyrimidine-5-carboxylate
CID 116646931
ethyl 4-amino-2-(4-tert-butylphenyl)pyrimidine-5-carboxylate
CID 82168426
ethyl 4-amino-2-(ethoxymethyl)pyrimidine-5-carboxylate
CID 116646813
ethyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate
CID 116646909
ethyl 2-(1,3-thiazol-4-yl)pyridine-3-carboxylate
CID 146331533
ethyl 4-amino-2-(dimethylamino)pyrimidine-5-carboxylate
CID 71220661
ethyl 2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxylate
CID 59345227
ethyl 4-amino-2-(2-methoxy-4-methylphenyl)pyrimidine-5-carboxylate
CID 106793658
ethyl 4-amino-2-(1-ethoxy-1-oxopropan-2-yl)sulfanylpyrimidine-5-carboxylate
CID 78987540
ethyl 4-amino-2-(2-methoxypropan-2-yl)pyrimidine-5-carboxylate
CID 116646797
ethyl 4-amino-2-(2-ethylbutylsulfanyl)pyrimidine-5-carboxylate
CID 82928927

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-(1,3-thiazol-4-yl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-amino-2-(1,3-thiazol-4-yl)pyrimidine-5-carboxylate (CID 116646861) is ethyl 4-amino-2-(1,3-thiazol-4-yl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-(1,3-thiazol-4-yl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-2-(1,3-thiazol-4-yl)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2cscn2)nc1N.
What is the InChIKey of ethyl 4-amino-2-(1,3-thiazol-4-yl)pyrimidine-5-carboxylate?
The InChIKey is QBXRYVVZGASOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-2-16-10(15)6-3-12-9(14-8(6)11)7-4-17-5-13-7/h3-5H,2H2,1H3,(H2,11,12,14).
What are the key properties of ethyl 4-amino-2-(1,3-thiazol-4-yl)pyrimidine-5-carboxylate?
ethyl 4-amino-2-(1,3-thiazol-4-yl)pyrimidine-5-carboxylate has a molecular weight of 250.28 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-(1,3-thiazol-4-yl)pyrimidine-5-carboxylate is sourced from PubChem (CID 116646861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).