2-amino-4-(2,4-dimethylphenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide

C17H18N4OS — CID 11290334

IUPAC2-amino-4-(2,4-dimethylphenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1cc2c(-c3ccc(C)cc3C)nc(N)nc2s1
InChIInChI=1S/C17H18N4OS/c1-4-19-15(22)13-8-12-14(20-17(18)21-16(12)23-13)11-6-5-9(2)7-10(11)3/h5-8H,4H2,1-3H3,(H,19,22)(H2,18,20,21)
InChIKeyJMZAAZZRUPWHDX-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.31
Rot. Bonds3

About 2-amino-4-(2,4-dimethylphenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide

2-amino-4-(2,4-dimethylphenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 11290334) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 2-amino-4-(2,4-dimethylphenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-amino-4-(2,4-dimethylphenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID11290334
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name2-amino-4-(2,4-dimethylphenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1cc2c(-c3ccc(C)cc3C)nc(N)nc2s1
InChIInChI=1S/C17H18N4OS/c1-4-19-15(22)13-8-12-14(20-17(18)21-16(12)23-13)11-6-5-9(2)7-10(11)3/h5-8H,4H2,1-3H3,(H,19,22)(H2,18,20,21)
InChIKeyJMZAAZZRUPWHDX-UHFFFAOYSA-N
XLogP3.31
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,4-dimethylphenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-amino-4-(2,4-dimethylphenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 11290334) is 2-amino-4-(2,4-dimethylphenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-amino-4-(2,4-dimethylphenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-amino-4-(2,4-dimethylphenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide is CCNC(=O)c1cc2c(-c3ccc(C)cc3C)nc(N)nc2s1.
What is the InChIKey of 2-amino-4-(2,4-dimethylphenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is JMZAAZZRUPWHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-4-19-15(22)13-8-12-14(20-17(18)21-16(12)23-13)11-6-5-9(2)7-10(11)3/h5-8H,4H2,1-3H3,(H,19,22)(H2,18,20,21).
What are the key properties of 2-amino-4-(2,4-dimethylphenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide?
2-amino-4-(2,4-dimethylphenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 326.43 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,4-dimethylphenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 11290334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).