N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-4-methylthiophene-2-carboxamide

C14H18N4OS — CID 122322257

IUPACN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCc2nc(C)cc(N(C)C)n2)c1
InChIInChI=1S/C14H18N4OS/c1-9-5-11(20-8-9)14(19)15-7-12-16-10(2)6-13(17-12)18(3)4/h5-6,8H,7H2,1-4H3,(H,15,19)
InChIKeyAMUOWMRVICPGCG-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.15
Rot. Bonds4

About N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-4-methylthiophene-2-carboxamide

N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-4-methylthiophene-2-carboxamide (PubChem CID 122322257) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-4-methylthiophene-2-carboxamide
PubChem CID122322257
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCc2nc(C)cc(N(C)C)n2)c1
InChIInChI=1S/C14H18N4OS/c1-9-5-11(20-8-9)14(19)15-7-12-16-10(2)6-13(17-12)18(3)4/h5-6,8H,7H2,1-4H3,(H,15,19)
InChIKeyAMUOWMRVICPGCG-UHFFFAOYSA-N
XLogP2.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methoxybenzamide
CID 91966955
5-bromo-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]pyridine-3-carboxamide
CID 122322208
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-4-nitrobenzamide
CID 122322439
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]adamantane-1-carboxamide
CID 122322210
1-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122322429
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 122322316
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methoxypyridine-3-carboxamide
CID 122322313
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-4-methylthiophene-2-carboxamide
CID 121137717
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 122322260
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-phenylbutanamide
CID 91966981
4-methyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide
CID 122255088
4-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 122317877

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-4-methylthiophene-2-carboxamide (CID 122322257) is N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)NCc2nc(C)cc(N(C)C)n2)c1.
What is the InChIKey of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-4-methylthiophene-2-carboxamide?
The InChIKey is AMUOWMRVICPGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-9-5-11(20-8-9)14(19)15-7-12-16-10(2)6-13(17-12)18(3)4/h5-6,8H,7H2,1-4H3,(H,15,19).
What are the key properties of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-4-methylthiophene-2-carboxamide?
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-4-methylthiophene-2-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 122322257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).