4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide

C17H17N5OS — CID 71237297

IUPAC4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(NCCc2cccs2)nc1Nc1ccccc1
InChIInChI=1S/C17H17N5OS/c18-15(23)14-11-20-17(19-9-8-13-7-4-10-24-13)22-16(14)21-12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H2,18,23)(H2,19,20,21,22)
InChIKeyGBVBHUSJKANJSD-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.04
Rot. Bonds7

About 4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide

4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide (PubChem CID 71237297) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is 4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide
PubChem CID71237297
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(NCCc2cccs2)nc1Nc1ccccc1
InChIInChI=1S/C17H17N5OS/c18-15(23)14-11-20-17(19-9-8-13-7-4-10-24-13)22-16(14)21-12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H2,18,23)(H2,19,20,21,22)
InChIKeyGBVBHUSJKANJSD-UHFFFAOYSA-N
XLogP3.04
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide 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

2-(2-aminoethylamino)-4-anilinopyrimidine-5-carboxamide
CID 22958832
4-anilino-2-(butan-2-ylamino)pyrimidine-5-carboxamide;4-anilino-2-(cyclohexylamino)pyrimidine-5-carboxamide;4-anilino-2-(cyclopentylamino)pyrimidine-5-carboxamide;4-anilino-2-[(3,4-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide;4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide
CID 162186273
4-[(4-anilino-5-carbamoylpyrimidin-2-yl)amino]benzoic acid
CID 143285070
3-[[2-(2-aminoethylamino)-5-carbamoylpyrimidin-4-yl]amino]benzoic acid
CID 18460852
4-(methoxymethyl)-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylic acid
CID 91905880
4-anilino-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 66576719
4-anilino-2-[(2,3-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 71237726
2-(2-aminoethylamino)-4-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 15458392
2-[(4-aminocyclohexyl)amino]-4-anilinopyrimidine-5-carboxamide
CID 66576399
2-[2-(diaminomethylideneamino)ethylamino]-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 18460850
4-anilino-2-[(2-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 123646313
6-(2-thiophen-2-ylethylamino)pyridazine-3-carboxamide
CID 79006069

Frequently Asked Questions

What is the IUPAC name of 4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide?
The IUPAC name of 4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide (CID 71237297) is 4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide is NC(=O)c1cnc(NCCc2cccs2)nc1Nc1ccccc1.
What is the InChIKey of 4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide?
The InChIKey is GBVBHUSJKANJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c18-15(23)14-11-20-17(19-9-8-13-7-4-10-24-13)22-16(14)21-12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H2,18,23)(H2,19,20,21,22).
What are the key properties of 4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide?
4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.04, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 71237297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).