N-cyclohexyl-4-imidazol-1-yl-6-methoxypyrimidine-2-carboxamide;methanol;molecular hydrogen

C16H25N5O3 — CID 166481190

IUPACN-cyclohexyl-4-imidazol-1-yl-6-methoxypyrimidine-2-carboxamide;methanol;molecular hydrogen
SMILESCO.COc1cc(-n2ccnc2)nc(C(=O)NC2CCCCC2)n1.[H][H]
InChIInChI=1S/C15H19N5O2.CH4O.H2/c1-22-13-9-12(20-8-7-16-10-20)18-14(19-13)15(21)17-11-5-3-2-4-6-11;1-2;/h7-11H,2-6H2,1H3,(H,17,21);2H,1H3;1H
InChIKeyUNRYXIWCPFCWTC-UHFFFAOYSA-N
MW335.41 g/mol
LogP1.59
Rot. Bonds4

About N-cyclohexyl-4-imidazol-1-yl-6-methoxypyrimidine-2-carboxamide;methanol;molecular hydrogen

N-cyclohexyl-4-imidazol-1-yl-6-methoxypyrimidine-2-carboxamide;methanol;molecular hydrogen (PubChem CID 166481190) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-cyclohexyl-4-imidazol-1-yl-6-methoxypyrimidine-2-carboxamide;methanol;molecular hydrogen.

Molecular Properties

Compound NameN-cyclohexyl-4-imidazol-1-yl-6-methoxypyrimidine-2-carboxamide;methanol;molecular hydrogen
PubChem CID166481190
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC NameN-cyclohexyl-4-imidazol-1-yl-6-methoxypyrimidine-2-carboxamide;methanol;molecular hydrogen
SMILESCO.COc1cc(-n2ccnc2)nc(C(=O)NC2CCCCC2)n1.[H][H]
InChIInChI=1S/C15H19N5O2.CH4O.H2/c1-22-13-9-12(20-8-7-16-10-20)18-14(19-13)15(21)17-11-5-3-2-4-6-11;1-2;/h7-11H,2-6H2,1H3,(H,17,21);2H,1H3;1H
InChIKeyUNRYXIWCPFCWTC-UHFFFAOYSA-N
XLogP1.59
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-cyclohexyl-4-imidazol-1-yl-6-methoxypyrimidine-2-carboxamide;methanol;molecular hydrogen 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-4-imidazol-1-yl-6-methoxypyrimidine-2-carboxamide;methanol;molecular hydrogen?
The IUPAC name of N-cyclohexyl-4-imidazol-1-yl-6-methoxypyrimidine-2-carboxamide;methanol;molecular hydrogen (CID 166481190) is N-cyclohexyl-4-imidazol-1-yl-6-methoxypyrimidine-2-carboxamide;methanol;molecular hydrogen.
What is the SMILES notation for N-cyclohexyl-4-imidazol-1-yl-6-methoxypyrimidine-2-carboxamide;methanol;molecular hydrogen?
The canonical SMILES for N-cyclohexyl-4-imidazol-1-yl-6-methoxypyrimidine-2-carboxamide;methanol;molecular hydrogen is CO.COc1cc(-n2ccnc2)nc(C(=O)NC2CCCCC2)n1.[H][H].
What is the InChIKey of N-cyclohexyl-4-imidazol-1-yl-6-methoxypyrimidine-2-carboxamide;methanol;molecular hydrogen?
The InChIKey is UNRYXIWCPFCWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2.CH4O.H2/c1-22-13-9-12(20-8-7-16-10-20)18-14(19-13)15(21)17-11-5-3-2-4-6-11;1-2;/h7-11H,2-6H2,1H3,(H,17,21);2H,1H3;1H.
What are the key properties of N-cyclohexyl-4-imidazol-1-yl-6-methoxypyrimidine-2-carboxamide;methanol;molecular hydrogen?
N-cyclohexyl-4-imidazol-1-yl-6-methoxypyrimidine-2-carboxamide;methanol;molecular hydrogen has a molecular weight of 335.41 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-imidazol-1-yl-6-methoxypyrimidine-2-carboxamide;methanol;molecular hydrogen is sourced from PubChem (CID 166481190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).