N-[[4-(aminomethyl)cyclohexyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxamide

C15H20N4O2S — CID 73334465

IUPACN-[[4-(aminomethyl)cyclohexyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxamide
SMILESNCC1CCC(CNC(=O)c2csc3nc[nH]c(=O)c23)CC1
InChIInChI=1S/C15H20N4O2S/c16-5-9-1-3-10(4-2-9)6-17-13(20)11-7-22-15-12(11)14(21)18-8-19-15/h7-10H,1-6,16H2,(H,17,20)(H,18,19,21)
InChIKeyNBHFKTYRCXEMSZ-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.48
Rot. Bonds4

About N-[[4-(aminomethyl)cyclohexyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxamide

N-[[4-(aminomethyl)cyclohexyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 73334465) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[[4-(aminomethyl)cyclohexyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)cyclohexyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxamide
PubChem CID73334465
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-[[4-(aminomethyl)cyclohexyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxamide
SMILESNCC1CCC(CNC(=O)c2csc3nc[nH]c(=O)c23)CC1
InChIInChI=1S/C15H20N4O2S/c16-5-9-1-3-10(4-2-9)6-17-13(20)11-7-22-15-12(11)14(21)18-8-19-15/h7-10H,1-6,16H2,(H,17,20)(H,18,19,21)
InChIKeyNBHFKTYRCXEMSZ-UHFFFAOYSA-N
XLogP1.48
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[4-(aminomethyl)cyclohexyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-5-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-[[4-(aminomethyl)cyclohexyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxamide (CID 73334465) is N-[[4-(aminomethyl)cyclohexyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[[4-(aminomethyl)cyclohexyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[[4-(aminomethyl)cyclohexyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxamide is NCC1CCC(CNC(=O)c2csc3nc[nH]c(=O)c23)CC1.
What is the InChIKey of N-[[4-(aminomethyl)cyclohexyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is NBHFKTYRCXEMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c16-5-9-1-3-10(4-2-9)6-17-13(20)11-7-22-15-12(11)14(21)18-8-19-15/h7-10H,1-6,16H2,(H,17,20)(H,18,19,21).
What are the key properties of N-[[4-(aminomethyl)cyclohexyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxamide?
N-[[4-(aminomethyl)cyclohexyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)cyclohexyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 73334465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).