N-cyclohexyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide

C19H21N5OS — CID 25230100

IUPACN-cyclohexyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
SMILESO=C(NC1CCCCC1)c1nc(NCc2cccnc2)nc2ccsc12
InChIInChI=1S/C19H21N5OS/c25-18(22-14-6-2-1-3-7-14)16-17-15(8-10-26-17)23-19(24-16)21-12-13-5-4-9-20-11-13/h4-5,8-11,14H,1-3,6-7,12H2,(H,22,25)(H,21,23,24)
InChIKeyJTMNJBCPWGVLEV-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.76
Rot. Bonds5

About N-cyclohexyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide

N-cyclohexyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide (PubChem CID 25230100) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is N-cyclohexyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
PubChem CID25230100
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC NameN-cyclohexyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
SMILESO=C(NC1CCCCC1)c1nc(NCc2cccnc2)nc2ccsc12
InChIInChI=1S/C19H21N5OS/c25-18(22-14-6-2-1-3-7-14)16-17-15(8-10-26-17)23-19(24-16)21-12-13-5-4-9-20-11-13/h4-5,8-11,14H,1-3,6-7,12H2,(H,22,25)(H,21,23,24)
InChIKeyJTMNJBCPWGVLEV-UHFFFAOYSA-N
XLogP3.76
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide (CID 25230100) is N-cyclohexyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide is O=C(NC1CCCCC1)c1nc(NCc2cccnc2)nc2ccsc12.
What is the InChIKey of N-cyclohexyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is JTMNJBCPWGVLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c25-18(22-14-6-2-1-3-7-14)16-17-15(8-10-26-17)23-19(24-16)21-12-13-5-4-9-20-11-13/h4-5,8-11,14H,1-3,6-7,12H2,(H,22,25)(H,21,23,24).
What are the key properties of N-cyclohexyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide?
N-cyclohexyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 367.48 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 25230100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).