4-(diethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

C12H14N3O2S- — CID 4547744

IUPAC4-(diethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCN(CC)c1ncnc2sc(C(=O)[O-])c(C)c12
InChIInChI=1S/C12H15N3O2S/c1-4-15(5-2)10-8-7(3)9(12(16)17)18-11(8)14-6-13-10/h6H,4-5H2,1-3H3,(H,16,17)/p-1
InChIKeyUCGONRVSATZMMN-UHFFFAOYSA-M
MW264.33 g/mol
LogP1.21
Rot. Bonds4

About 4-(diethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

4-(diethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 4547744) has the molecular formula C12H14N3O2S- and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-(diethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Name4-(diethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID4547744
Molecular FormulaC12H14N3O2S-
Molecular Weight264.33 g/mol
Exact Mass264.08
IUPAC Name4-(diethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCN(CC)c1ncnc2sc(C(=O)[O-])c(C)c12
InChIInChI=1S/C12H15N3O2S/c1-4-15(5-2)10-8-7(3)9(12(16)17)18-11(8)14-6-13-10/h6H,4-5H2,1-3H3,(H,16,17)/p-1
InChIKeyUCGONRVSATZMMN-UHFFFAOYSA-M
XLogP1.21
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(diethylamino)-N-(3-fluoro-4-methylphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 4054118
4-[ethyl(2-methylprop-2-enyl)amino]-N-(2-hydroxyethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 126466712
(4-benzylpiperazin-1-yl)-[4-(diethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 6617150
[4-(diethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 4534824
1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 78962197
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-propylamino]acetic acid
CID 61006901
4-(4-hydroxy-N-methylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28854879
ethyl 5-methyl-4-[methyl-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 96526350
2-[[4-(dimethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]pentanoic acid
CID 82033180
N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 62585499
propan-2-yl 4-[2-hydroxyethyl(methyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 28847295
ethyl 5-methyl-4-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 26455008

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of 4-(diethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate (CID 4547744) is 4-(diethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for 4-(diethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for 4-(diethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate is CCN(CC)c1ncnc2sc(C(=O)[O-])c(C)c12.
What is the InChIKey of 4-(diethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is UCGONRVSATZMMN-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H15N3O2S/c1-4-15(5-2)10-8-7(3)9(12(16)17)18-11(8)14-6-13-10/h6H,4-5H2,1-3H3,(H,16,17)/p-1.
What are the key properties of 4-(diethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
4-(diethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 264.33 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 4547744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).