N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

C26H30N4O2S — CID 55879045

IUPACN-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1sc2nc(C3CC3)nc(C)c2c1C
InChIInChI=1S/C26H30N4O2S/c1-14-13-18(24(31)28-19-7-5-4-6-8-19)11-12-20(14)29-25(32)22-15(2)21-16(3)27-23(17-9-10-17)30-26(21)33-22/h11-13,17,19H,4-10H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyICNQSKFARSBWDX-UHFFFAOYSA-N
MW462.62 g/mol
LogP5.81
Rot. Bonds5

About N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55879045) has the molecular formula C26H30N4O2S and a molecular weight of 462.62 g/mol. Its IUPAC name is N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID55879045
Molecular FormulaC26H30N4O2S
Molecular Weight462.62 g/mol
Exact Mass462.21
IUPAC NameN-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1sc2nc(C3CC3)nc(C)c2c1C
InChIInChI=1S/C26H30N4O2S/c1-14-13-18(24(31)28-19-7-5-4-6-8-19)11-12-20(14)29-25(32)22-15(2)21-16(3)27-23(17-9-10-17)30-26(21)33-22/h11-13,17,19H,4-10H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyICNQSKFARSBWDX-UHFFFAOYSA-N
XLogP5.81
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.62
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

2-cyclopropyl-4,5-dimethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 24665431
2-cyclopropyl-4,5-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46475614
N-(3-chloro-4-methylphenyl)-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46539056
2-cyclopropyl-N-(2-methoxy-4-nitrophenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 39975723
2-cyclopropyl-N-(3-methoxyphenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24671862
2-cyclopropyl-N-(6-methoxy-3-pyridinyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46539036
2-cyclopropyl-4,5-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 43052063
2-cyclopropyl-4,5-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 24659915
N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide
CID 48645772
N-cyclopentyl-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 51338568
3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide
CID 55878666
2-cyclopropyl-4,5-dimethyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46635047

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 55879045) is N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1sc2nc(C3CC3)nc(C)c2c1C.
What is the InChIKey of N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is ICNQSKFARSBWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2S/c1-14-13-18(24(31)28-19-7-5-4-6-8-19)11-12-20(14)29-25(32)22-15(2)21-16(3)27-23(17-9-10-17)30-26(21)33-22/h11-13,17,19H,4-10H2,1-3H3,(H,28,31)(H,29,32).
What are the key properties of N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 462.62 g/mol, XLogP of 5.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55879045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).