N,2-dimethyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide

C12H13N3OS — CID 131916753

IUPACN,2-dimethyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N(C)Cc2ccsc2)cn1
InChIInChI=1S/C12H13N3OS/c1-9-13-5-11(6-14-9)12(16)15(2)7-10-3-4-17-8-10/h3-6,8H,7H2,1-2H3
InChIKeyDQRFWGMMTZFNQD-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.12
Rot. Bonds3

About N,2-dimethyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide

N,2-dimethyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 131916753) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is N,2-dimethyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide
PubChem CID131916753
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC NameN,2-dimethyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N(C)Cc2ccsc2)cn1
InChIInChI=1S/C12H13N3OS/c1-9-13-5-11(6-14-9)12(16)15(2)7-10-3-4-17-8-10/h3-6,8H,7H2,1-2H3
InChIKeyDQRFWGMMTZFNQD-UHFFFAOYSA-N
XLogP2.12
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of N,2-dimethyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide (CID 131916753) is N,2-dimethyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for N,2-dimethyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide is Cc1ncc(C(=O)N(C)Cc2ccsc2)cn1.
What is the InChIKey of N,2-dimethyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is DQRFWGMMTZFNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-9-13-5-11(6-14-9)12(16)15(2)7-10-3-4-17-8-10/h3-6,8H,7H2,1-2H3.
What are the key properties of N,2-dimethyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide?
N,2-dimethyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 131916753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).