5-(2-aminopyrimidin-4-yl)-2-phenylthiophene-3-carboxamide

C15H12N4OS — CID 24809936

IUPAC5-(2-aminopyrimidin-4-yl)-2-phenylthiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccnc(N)n2)sc1-c1ccccc1
InChIInChI=1S/C15H12N4OS/c16-14(20)10-8-12(11-6-7-18-15(17)19-11)21-13(10)9-4-2-1-3-5-9/h1-8H,(H2,16,20)(H2,17,18,19)
InChIKeyDJAMYJHJBLQPKJ-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.55
Rot. Bonds3

About 5-(2-aminopyrimidin-4-yl)-2-phenylthiophene-3-carboxamide

5-(2-aminopyrimidin-4-yl)-2-phenylthiophene-3-carboxamide (PubChem CID 24809936) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)-2-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-(2-aminopyrimidin-4-yl)-2-phenylthiophene-3-carboxamide
PubChem CID24809936
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name5-(2-aminopyrimidin-4-yl)-2-phenylthiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccnc(N)n2)sc1-c1ccccc1
InChIInChI=1S/C15H12N4OS/c16-14(20)10-8-12(11-6-7-18-15(17)19-11)21-13(10)9-4-2-1-3-5-9/h1-8H,(H2,16,20)(H2,17,18,19)
InChIKeyDJAMYJHJBLQPKJ-UHFFFAOYSA-N
XLogP2.55
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-(4-(Benzo(b)thiophen-2-yl)pyrimidin-2-ylamino)phenyl)(4-(pyrrolidin-1-yl)piperidin-1-yl)methanone
CID 9549298
US11685744, Example 56
CID 164709790
Thieno[2,3-d]pyrimidine, 21a
CID 11415286
5-ethyl-4-methyl-N-(3-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 4789493
4-fluoro-N-[[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide
CID 1263771
2-fluoro-N-({[4-thien-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]amino}carbonyl)benzamide
CID 1516842
N-(2,4-dichlorophenethyl)-5-(2-(methylamino)pyrimidin-4-yl)thiophene-2-carboxamide
CID 11502369
N-(2,4-dichlorophenethyl)-5-(2-aminopyrimidin-4-yl)thiophene-2-carboxamide
CID 11567357
5-[2-[3-(3-morpholin-4-ylpropyl)anilino]pyrimidin-4-yl]-N-prop-2-ynylthiophene-2-carboxamide
CID 16036800
4-fluoro-N-methyl-N-(4-(pyrimidin-4-yl)thiazol-2-yl)benzamide
CID 16038338
4-(6-Phenyl-thieno[3,2-d]pyrimidin-4-ylamino)-benzamide
CID 18382823
5-(2-Amino-pyrimidin-4-yl)-2-thiophen-3-yl-1H-pyrrole-3-carboxamide
CID 24809901

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopyrimidin-4-yl)-2-phenylthiophene-3-carboxamide?
The IUPAC name of 5-(2-aminopyrimidin-4-yl)-2-phenylthiophene-3-carboxamide (CID 24809936) is 5-(2-aminopyrimidin-4-yl)-2-phenylthiophene-3-carboxamide.
What is the SMILES notation for 5-(2-aminopyrimidin-4-yl)-2-phenylthiophene-3-carboxamide?
The canonical SMILES for 5-(2-aminopyrimidin-4-yl)-2-phenylthiophene-3-carboxamide is NC(=O)c1cc(-c2ccnc(N)n2)sc1-c1ccccc1.
What is the InChIKey of 5-(2-aminopyrimidin-4-yl)-2-phenylthiophene-3-carboxamide?
The InChIKey is DJAMYJHJBLQPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c16-14(20)10-8-12(11-6-7-18-15(17)19-11)21-13(10)9-4-2-1-3-5-9/h1-8H,(H2,16,20)(H2,17,18,19).
What are the key properties of 5-(2-aminopyrimidin-4-yl)-2-phenylthiophene-3-carboxamide?
5-(2-aminopyrimidin-4-yl)-2-phenylthiophene-3-carboxamide has a molecular weight of 296.36 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopyrimidin-4-yl)-2-phenylthiophene-3-carboxamide is sourced from PubChem (CID 24809936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).