2-cyclopropyl-4,5-dimethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-6-carboxamide

C19H25N3OS — CID 24665431

IUPAC2-cyclopropyl-4,5-dimethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C2CC2)nc2sc(C(=O)NC3CCC(C)CC3)c(C)c12
InChIInChI=1S/C19H25N3OS/c1-10-4-8-14(9-5-10)21-18(23)16-11(2)15-12(3)20-17(13-6-7-13)22-19(15)24-16/h10,13-14H,4-9H2,1-3H3,(H,21,23)
InChIKeyHZFJNPOMXUXCKG-UHFFFAOYSA-N
MW343.50 g/mol
LogP4.49
Rot. Bonds3

About 2-cyclopropyl-4,5-dimethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-6-carboxamide

2-cyclopropyl-4,5-dimethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 24665431) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 2-cyclopropyl-4,5-dimethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-4,5-dimethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID24665431
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name2-cyclopropyl-4,5-dimethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C2CC2)nc2sc(C(=O)NC3CCC(C)CC3)c(C)c12
InChIInChI=1S/C19H25N3OS/c1-10-4-8-14(9-5-10)21-18(23)16-11(2)15-12(3)20-17(13-6-7-13)22-19(15)24-16/h10,13-14H,4-9H2,1-3H3,(H,21,23)
InChIKeyHZFJNPOMXUXCKG-UHFFFAOYSA-N
XLogP4.49
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4,5-dimethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-cyclopropyl-4,5-dimethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 24665431) is 2-cyclopropyl-4,5-dimethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-cyclopropyl-4,5-dimethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-cyclopropyl-4,5-dimethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(C2CC2)nc2sc(C(=O)NC3CCC(C)CC3)c(C)c12.
What is the InChIKey of 2-cyclopropyl-4,5-dimethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is HZFJNPOMXUXCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-10-4-8-14(9-5-10)21-18(23)16-11(2)15-12(3)20-17(13-6-7-13)22-19(15)24-16/h10,13-14H,4-9H2,1-3H3,(H,21,23).
What are the key properties of 2-cyclopropyl-4,5-dimethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-6-carboxamide?
2-cyclopropyl-4,5-dimethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 343.50 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4,5-dimethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 24665431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).