N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-3-carboxamide

C12H14N4OS — CID 122322468

IUPACN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-3-carboxamide
SMILESCN(C)c1ccnc(CNC(=O)c2ccsc2)n1
InChIInChI=1S/C12H14N4OS/c1-16(2)11-3-5-13-10(15-11)7-14-12(17)9-4-6-18-8-9/h3-6,8H,7H2,1-2H3,(H,14,17)
InChIKeyAPINFRZPWPOFQM-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.53
Rot. Bonds4

About N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-3-carboxamide

N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-3-carboxamide (PubChem CID 122322468) 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-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-3-carboxamide
PubChem CID122322468
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-3-carboxamide
SMILESCN(C)c1ccnc(CNC(=O)c2ccsc2)n1
InChIInChI=1S/C12H14N4OS/c1-16(2)11-3-5-13-10(15-11)7-14-12(17)9-4-6-18-8-9/h3-6,8H,7H2,1-2H3,(H,14,17)
InChIKeyAPINFRZPWPOFQM-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

4-acetyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]benzamide
CID 122322625
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-methylbenzamide
CID 91967035
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-2-carboxamide
CID 72718228
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-6-oxopyran-3-carboxamide
CID 122322467
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-fluoro-4-methylbenzamide
CID 122322557
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]thiophene-3-carboxamide
CID 122254265
5-bromo-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]furan-2-carboxamide
CID 72718232
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,4-difluorobenzamide
CID 91967056
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-propylthiadiazole-5-carboxamide
CID 122322472
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(4-fluorophenoxy)benzamide
CID 122322627
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-oxocyclohexane-1-carboxamide
CID 122322584
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-3-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-3-carboxamide (CID 122322468) is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-3-carboxamide is CN(C)c1ccnc(CNC(=O)c2ccsc2)n1.
What is the InChIKey of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-3-carboxamide?
The InChIKey is APINFRZPWPOFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-16(2)11-3-5-13-10(15-11)7-14-12(17)9-4-6-18-8-9/h3-6,8H,7H2,1-2H3,(H,14,17).
What are the key properties of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-3-carboxamide?
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-3-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-3-carboxamide is sourced from PubChem (CID 122322468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).