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

C21H24N4O2S — CID 95047368

IUPACN,3,5-trimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N(C)C[C@@H]2Cc3ccccc3CN2C)sc2ncn(C)c(=O)c12
InChIInChI=1S/C21H24N4O2S/c1-13-17-19(22-12-25(4)20(17)26)28-18(13)21(27)24(3)11-16-9-14-7-5-6-8-15(14)10-23(16)2/h5-8,12,16H,9-11H2,1-4H3/t16-/m0/s1
InChIKeyPOTQXSCDICQKQC-INIZCTEOSA-N
MW396.52 g/mol
LogP2.43
Rot. Bonds3

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

N,3,5-trimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 95047368) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is N,3,5-trimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID95047368
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC NameN,3,5-trimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N(C)C[C@@H]2Cc3ccccc3CN2C)sc2ncn(C)c(=O)c12
InChIInChI=1S/C21H24N4O2S/c1-13-17-19(22-12-25(4)20(17)26)28-18(13)21(27)24(3)11-16-9-14-7-5-6-8-15(14)10-23(16)2/h5-8,12,16H,9-11H2,1-4H3/t16-/m0/s1
InChIKeyPOTQXSCDICQKQC-INIZCTEOSA-N
XLogP2.43
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 31848326
N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 70727512
3,5-dimethyl-4-oxo-N-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 97206491
N,3,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 31151904
2-(dimethylamino)-N,4-dimethyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]pyrimidine-5-carboxamide
CID 70723221
2-(dimethylamino)-N,4-dimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]pyrimidine-5-carboxamide
CID 96573603
N-cyclohexyl-N,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 23960515
3,5-dimethyl-4-oxo-N-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 87037721
N,3,5-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 47000139
N-[2-(dimethylcarbamoyl)phenyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 55613008
N,1-dimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide
CID 95398947
N-benzyl-N-(2-methoxyethyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 31236285

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 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) is N,3,5-trimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N,3,5-trimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N,3,5-trimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)N(C)C[C@@H]2Cc3ccccc3CN2C)sc2ncn(C)c(=O)c12.
What is the InChIKey of N,3,5-trimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is POTQXSCDICQKQC-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-13-17-19(22-12-25(4)20(17)26)28-18(13)21(27)24(3)11-16-9-14-7-5-6-8-15(14)10-23(16)2/h5-8,12,16H,9-11H2,1-4H3/t16-/m0/s1.
What are the key properties of N,3,5-trimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
N,3,5-trimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 396.52 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 95047368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).