4-amino-N-(4-methylphenyl)-2-thiophen-2-ylpyrimidine-5-carboxamide

C16H14N4OS — CID 83577651

IUPAC4-amino-N-(4-methylphenyl)-2-thiophen-2-ylpyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(-c3cccs3)nc2N)cc1
InChIInChI=1S/C16H14N4OS/c1-10-4-6-11(7-5-10)19-16(21)12-9-18-15(20-14(12)17)13-3-2-8-22-13/h2-9H,1H3,(H,19,21)(H2,17,18,20)
InChIKeyHQADUFGJGKNZQI-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.35
Rot. Bonds3

About 4-amino-N-(4-methylphenyl)-2-thiophen-2-ylpyrimidine-5-carboxamide

4-amino-N-(4-methylphenyl)-2-thiophen-2-ylpyrimidine-5-carboxamide (PubChem CID 83577651) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 4-amino-N-(4-methylphenyl)-2-thiophen-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-methylphenyl)-2-thiophen-2-ylpyrimidine-5-carboxamide
PubChem CID83577651
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name4-amino-N-(4-methylphenyl)-2-thiophen-2-ylpyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(-c3cccs3)nc2N)cc1
InChIInChI=1S/C16H14N4OS/c1-10-4-6-11(7-5-10)19-16(21)12-9-18-15(20-14(12)17)13-3-2-8-22-13/h2-9H,1H3,(H,19,21)(H2,17,18,20)
InChIKeyHQADUFGJGKNZQI-UHFFFAOYSA-N
XLogP3.35
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methyl-2-thiophen-2-ylpyrimidin-5-yl)ethanone
CID 15314346
4-amino-N-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxamide
CID 83567087
1-[4-amino-2-(4-methylanilino)pyrimidin-5-yl]ethanone
CID 143902091
ethyl 4-[(2-thiophen-2-ylpyridine-3-carbonyl)amino]benzoate
CID 46388667
4-methyl-N-(4-thiophen-2-ylpyrimidin-2-yl)benzamide
CID 3698321
1-methyl-N-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 812762
N-(4-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143495
4-amino-2-(4-methylphenyl)-N-propylpyrimidine-5-carboxamide
CID 83567104
3-amino-N-(4-methylphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1040522
N-(4-methylphenyl)-4-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 143426015
2-amino-6-chloro-N-(4-methylphenyl)pyridine-4-carboxamide
CID 62156439
5-(4-methylphenyl)-2-thiophen-2-ylthieno[2,3-d]pyrimidine
CID 154458730

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-methylphenyl)-2-thiophen-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-(4-methylphenyl)-2-thiophen-2-ylpyrimidine-5-carboxamide (CID 83577651) is 4-amino-N-(4-methylphenyl)-2-thiophen-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-(4-methylphenyl)-2-thiophen-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-(4-methylphenyl)-2-thiophen-2-ylpyrimidine-5-carboxamide is Cc1ccc(NC(=O)c2cnc(-c3cccs3)nc2N)cc1.
What is the InChIKey of 4-amino-N-(4-methylphenyl)-2-thiophen-2-ylpyrimidine-5-carboxamide?
The InChIKey is HQADUFGJGKNZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c1-10-4-6-11(7-5-10)19-16(21)12-9-18-15(20-14(12)17)13-3-2-8-22-13/h2-9H,1H3,(H,19,21)(H2,17,18,20).
What are the key properties of 4-amino-N-(4-methylphenyl)-2-thiophen-2-ylpyrimidine-5-carboxamide?
4-amino-N-(4-methylphenyl)-2-thiophen-2-ylpyrimidine-5-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-methylphenyl)-2-thiophen-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 83577651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).