N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-2-carboxamide

C12H14N4OS — CID 72718228

IUPACN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-2-carboxamide
SMILESCN(C)c1ccnc(CNC(=O)c2cccs2)n1
InChIInChI=1S/C12H14N4OS/c1-16(2)11-5-6-13-10(15-11)8-14-12(17)9-4-3-7-18-9/h3-7H,8H2,1-2H3,(H,14,17)
InChIKeyFWABYBZNOMWRBB-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.53
Rot. Bonds4

About N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-2-carboxamide

N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 72718228) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-2-carboxamide
PubChem CID72718228
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-2-carboxamide
SMILESCN(C)c1ccnc(CNC(=O)c2cccs2)n1
InChIInChI=1S/C12H14N4OS/c1-16(2)11-5-6-13-10(15-11)8-14-12(17)9-4-3-7-18-9/h3-7H,8H2,1-2H3,(H,14,17)
InChIKeyFWABYBZNOMWRBB-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-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-3-carboxamide
CID 122322468
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-methylbenzamide
CID 91967035
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]thiophene-2-carboxamide
CID 122254172
5-bromo-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]furan-2-carboxamide
CID 72718232
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-fluoro-4-methylbenzamide
CID 122322557
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-5-nitrofuran-2-carboxamide
CID 122322465
N-[[2-(dimethylamino)phenyl]methyl]thiophene-2-carboxamide
CID 110471616
(2S)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-phenoxypropanamide
CID 99882923
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(4-fluorophenoxy)benzamide
CID 122322627
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 71807389
N-benzylthiophene-2-carboxamide
CID 574227
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 122318073

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-2-carboxamide (CID 72718228) is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-2-carboxamide is CN(C)c1ccnc(CNC(=O)c2cccs2)n1.
What is the InChIKey of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is FWABYBZNOMWRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-16(2)11-5-6-13-10(15-11)8-14-12(17)9-4-3-7-18-9/h3-7H,8H2,1-2H3,(H,14,17).
What are the key properties of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-2-carboxamide?
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-2-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 N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 72718228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).