2-(dimethylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide

C12H14N4OS — CID 53299092

IUPAC2-(dimethylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide
SMILESCN(C)c1ncc(C(=O)NCc2cccs2)cn1
InChIInChI=1S/C12H14N4OS/c1-16(2)12-14-6-9(7-15-12)11(17)13-8-10-4-3-5-18-10/h3-7H,8H2,1-2H3,(H,13,17)
InChIKeyNBMRHAVTDUYHJZ-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.53
Rot. Bonds4

About 2-(dimethylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide

2-(dimethylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 53299092) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide
PubChem CID53299092
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name2-(dimethylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide
SMILESCN(C)c1ncc(C(=O)NCc2cccs2)cn1
InChIInChI=1S/C12H14N4OS/c1-16(2)12-14-6-9(7-15-12)11(17)13-8-10-4-3-5-18-10/h3-7H,8H2,1-2H3,(H,13,17)
InChIKeyNBMRHAVTDUYHJZ-UHFFFAOYSA-N
XLogP1.53
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-6-(thiophen-2-ylmethylamino)pyridine-3-carboxamide
CID 78956358
2-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 55042664
5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide
CID 2801009
8-sulfanyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide
CID 126609807
2-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 112522093
4-propoxy-N-(thiophen-2-ylmethyl)benzamide
CID 4938538
3,4-diamino-N-(thiophen-2-ylmethyl)benzamide
CID 67362450
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 44782557
3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79460548
2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide
CID 50985156

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide (CID 53299092) is 2-(dimethylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide is CN(C)c1ncc(C(=O)NCc2cccs2)cn1.
What is the InChIKey of 2-(dimethylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is NBMRHAVTDUYHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-16(2)12-14-6-9(7-15-12)11(17)13-8-10-4-3-5-18-10/h3-7H,8H2,1-2H3,(H,13,17).
What are the key properties of 2-(dimethylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide?
2-(dimethylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 53299092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).