N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide

C11H11N3OS — CID 1147602

IUPACN-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cccs2)n1
InChIInChI=1S/C11H11N3OS/c1-7-6-8(2)13-11(12-7)14-10(15)9-4-3-5-16-9/h3-6H,1-2H3,(H,12,13,14,15)
InChIKeyFGORNEYTMPJOSC-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.41
Rot. Bonds2

About N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide

N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide (PubChem CID 1147602) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide
PubChem CID1147602
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cccs2)n1
InChIInChI=1S/C11H11N3OS/c1-7-6-8(2)13-11(12-7)14-10(15)9-4-3-5-16-9/h3-6H,1-2H3,(H,12,13,14,15)
InChIKeyFGORNEYTMPJOSC-UHFFFAOYSA-N
XLogP2.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide (CID 1147602) is N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide is Cc1cc(C)nc(NC(=O)c2cccs2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide?
The InChIKey is FGORNEYTMPJOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-7-6-8(2)13-11(12-7)14-10(15)9-4-3-5-16-9/h3-6H,1-2H3,(H,12,13,14,15).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide?
N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide has a molecular weight of 233.30 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 1147602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).