4-amino-N-(4,6-dimethylpyrimidin-2-yl)-5-methylthiophene-2-carboxamide

C12H14N4OS — CID 61093140

IUPAC4-amino-N-(4,6-dimethylpyrimidin-2-yl)-5-methylthiophene-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cc(N)c(C)s2)n1
InChIInChI=1S/C12H14N4OS/c1-6-4-7(2)15-12(14-6)16-11(17)10-5-9(13)8(3)18-10/h4-5H,13H2,1-3H3,(H,14,15,16,17)
InChIKeyOFKUGNHPYFSYEE-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.30
Rot. Bonds2

About 4-amino-N-(4,6-dimethylpyrimidin-2-yl)-5-methylthiophene-2-carboxamide

4-amino-N-(4,6-dimethylpyrimidin-2-yl)-5-methylthiophene-2-carboxamide (PubChem CID 61093140) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 4-amino-N-(4,6-dimethylpyrimidin-2-yl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4,6-dimethylpyrimidin-2-yl)-5-methylthiophene-2-carboxamide
PubChem CID61093140
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name4-amino-N-(4,6-dimethylpyrimidin-2-yl)-5-methylthiophene-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cc(N)c(C)s2)n1
InChIInChI=1S/C12H14N4OS/c1-6-4-7(2)15-12(14-6)16-11(17)10-5-9(13)8(3)18-10/h4-5H,13H2,1-3H3,(H,14,15,16,17)
InChIKeyOFKUGNHPYFSYEE-UHFFFAOYSA-N
XLogP2.30
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-{2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetyl}-2-thiophenecarbohydrazide
CID 1258496
N-(6-methylpyridin-2-yl)thiophene-2-carboxamide
CID 573775
N-(4,6-dimethylpyrimidin-2-yl)-2-(thiophen-2-yl)acetamide
CID 646401
N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide
CID 1147602
5-chloro-N-(4,6-dimethyl-2-pyrimidinyl)-2-thiophenecarboxamide
CID 2970310
5-bromo-N-(4,6-dimethyl-2-pyrimidinyl)-2-thiophenecarboxamide
CID 2970730
N-(4-((4-(ethylamino)-6-methylpyrimidin-2-yl)amino)phenyl)thiophene-2-carboxamide
CID 44522256
4-(Ethylamino)thieno[3,2-d]pyrimidine-6-carboxamide
CID 71654838
N-(4-{[4-(diethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)thiophene-2-carboxamide
CID 18566748
N-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxamide
CID 914056
Urea, 1-(4-methyl-6-trifluoromethylpyrimidin-2-yl)-3-(thiophene-2-carbonyl)-
CID 1503225
4-fluoro-5-methyl-N-(6-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 89945928

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4,6-dimethylpyrimidin-2-yl)-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-amino-N-(4,6-dimethylpyrimidin-2-yl)-5-methylthiophene-2-carboxamide (CID 61093140) is 4-amino-N-(4,6-dimethylpyrimidin-2-yl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N-(4,6-dimethylpyrimidin-2-yl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-amino-N-(4,6-dimethylpyrimidin-2-yl)-5-methylthiophene-2-carboxamide is Cc1cc(C)nc(NC(=O)c2cc(N)c(C)s2)n1.
What is the InChIKey of 4-amino-N-(4,6-dimethylpyrimidin-2-yl)-5-methylthiophene-2-carboxamide?
The InChIKey is OFKUGNHPYFSYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-6-4-7(2)15-12(14-6)16-11(17)10-5-9(13)8(3)18-10/h4-5H,13H2,1-3H3,(H,14,15,16,17).
What are the key properties of 4-amino-N-(4,6-dimethylpyrimidin-2-yl)-5-methylthiophene-2-carboxamide?
4-amino-N-(4,6-dimethylpyrimidin-2-yl)-5-methylthiophene-2-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4,6-dimethylpyrimidin-2-yl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 61093140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).