N-[4-(dimethylamino)pyrimidin-5-yl]-4-methylthiophene-3-carboxamide

C12H14N4OS — CID 71914203

IUPACN-[4-(dimethylamino)pyrimidin-5-yl]-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)Nc1cncnc1N(C)C
InChIInChI=1S/C12H14N4OS/c1-8-5-18-6-9(8)12(17)15-10-4-13-7-14-11(10)16(2)3/h4-7H,1-3H3,(H,15,17)
InChIKeyUXGVHTSHMDUCFV-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.16
Rot. Bonds3

About N-[4-(dimethylamino)pyrimidin-5-yl]-4-methylthiophene-3-carboxamide

N-[4-(dimethylamino)pyrimidin-5-yl]-4-methylthiophene-3-carboxamide (PubChem CID 71914203) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is N-[4-(dimethylamino)pyrimidin-5-yl]-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)pyrimidin-5-yl]-4-methylthiophene-3-carboxamide
PubChem CID71914203
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC NameN-[4-(dimethylamino)pyrimidin-5-yl]-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)Nc1cncnc1N(C)C
InChIInChI=1S/C12H14N4OS/c1-8-5-18-6-9(8)12(17)15-10-4-13-7-14-11(10)16(2)3/h4-7H,1-3H3,(H,15,17)
InChIKeyUXGVHTSHMDUCFV-UHFFFAOYSA-N
XLogP2.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(dimethylamino)pyrimidin-5-yl]-4-methylthiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)pyrimidin-5-yl]-4-methylthiophene-3-carboxamide?
The IUPAC name of N-[4-(dimethylamino)pyrimidin-5-yl]-4-methylthiophene-3-carboxamide (CID 71914203) is N-[4-(dimethylamino)pyrimidin-5-yl]-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)pyrimidin-5-yl]-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)pyrimidin-5-yl]-4-methylthiophene-3-carboxamide is Cc1cscc1C(=O)Nc1cncnc1N(C)C.
What is the InChIKey of N-[4-(dimethylamino)pyrimidin-5-yl]-4-methylthiophene-3-carboxamide?
The InChIKey is UXGVHTSHMDUCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-8-5-18-6-9(8)12(17)15-10-4-13-7-14-11(10)16(2)3/h4-7H,1-3H3,(H,15,17).
What are the key properties of N-[4-(dimethylamino)pyrimidin-5-yl]-4-methylthiophene-3-carboxamide?
N-[4-(dimethylamino)pyrimidin-5-yl]-4-methylthiophene-3-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)pyrimidin-5-yl]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 71914203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).