N,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

C15H17N5O2S — CID 31848326

IUPACN,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N(C)Cc2cnn(C)c2)sc2ncn(C)c(=O)c12
InChIInChI=1S/C15H17N5O2S/c1-9-11-13(16-8-19(3)14(11)21)23-12(9)15(22)18(2)6-10-5-17-20(4)7-10/h5,7-8H,6H2,1-4H3
InChIKeyMALKTMDYFNTIER-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.31
Rot. Bonds3

About N,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

N,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 31848326) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is N,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID31848326
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC NameN,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N(C)Cc2cnn(C)c2)sc2ncn(C)c(=O)c12
InChIInChI=1S/C15H17N5O2S/c1-9-11-13(16-8-19(3)14(11)21)23-12(9)15(22)18(2)6-10-5-17-20(4)7-10/h5,7-8H,6H2,1-4H3
InChIKeyMALKTMDYFNTIER-UHFFFAOYSA-N
XLogP1.31
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,3,5-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 47000139
N,3,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 31151904
N-cyclohexyl-N,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 23960515
N-[(2R)-3,3-dimethylbutan-2-yl]-N,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 38623842
N,3,5-trimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 95047368
N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 51089134
N-benzyl-N,5-dimethyl-4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 23793202
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
3,5-dimethyl-4-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 134000780
N-benzyl-N,2,3,5-tetramethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 23766608
N-(2-cyclohexylethyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 53498116
1-ethyl-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19477840

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (CID 31848326) is N,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)N(C)Cc2cnn(C)c2)sc2ncn(C)c(=O)c12.
What is the InChIKey of N,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is MALKTMDYFNTIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-9-11-13(16-8-19(3)14(11)21)23-12(9)15(22)18(2)6-10-5-17-20(4)7-10/h5,7-8H,6H2,1-4H3.
What are the key properties of N,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
N,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 31848326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).