N-cyclohexyl-4-(2-fluorophenyl)-2-(2-methoxyethylamino)-N-methylpyrimidine-5-carboxamide

C21H27FN4O2 — CID 59421169

IUPACN-cyclohexyl-4-(2-fluorophenyl)-2-(2-methoxyethylamino)-N-methylpyrimidine-5-carboxamide
SMILESCOCCNc1ncc(C(=O)N(C)C2CCCCC2)c(-c2ccccc2F)n1
InChIInChI=1S/C21H27FN4O2/c1-26(15-8-4-3-5-9-15)20(27)17-14-24-21(23-12-13-28-2)25-19(17)16-10-6-7-11-18(16)22/h6-7,10-11,14-15H,3-5,8-9,12-13H2,1-2H3,(H,23,24,25)
InChIKeyUZGYWVBQTAKXCW-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.75
Rot. Bonds7

About N-cyclohexyl-4-(2-fluorophenyl)-2-(2-methoxyethylamino)-N-methylpyrimidine-5-carboxamide

N-cyclohexyl-4-(2-fluorophenyl)-2-(2-methoxyethylamino)-N-methylpyrimidine-5-carboxamide (PubChem CID 59421169) has the molecular formula C21H27FN4O2 and a molecular weight of 386.47 g/mol. Its IUPAC name is N-cyclohexyl-4-(2-fluorophenyl)-2-(2-methoxyethylamino)-N-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(2-fluorophenyl)-2-(2-methoxyethylamino)-N-methylpyrimidine-5-carboxamide
PubChem CID59421169
Molecular FormulaC21H27FN4O2
Molecular Weight386.47 g/mol
Exact Mass386.21
IUPAC NameN-cyclohexyl-4-(2-fluorophenyl)-2-(2-methoxyethylamino)-N-methylpyrimidine-5-carboxamide
SMILESCOCCNc1ncc(C(=O)N(C)C2CCCCC2)c(-c2ccccc2F)n1
InChIInChI=1S/C21H27FN4O2/c1-26(15-8-4-3-5-9-15)20(27)17-14-24-21(23-12-13-28-2)25-19(17)16-10-6-7-11-18(16)22/h6-7,10-11,14-15H,3-5,8-9,12-13H2,1-2H3,(H,23,24,25)
InChIKeyUZGYWVBQTAKXCW-UHFFFAOYSA-N
XLogP3.75
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-cyclohexyl-4-(2-fluorophenyl)-2-(2-methoxyethylamino)-N-methylpyrimidine-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-cyclohexyl-4-(2-fluorophenyl)-2-(2-methoxyethylamino)-N-methylpyrimidine-5-carboxamide?
The IUPAC name of N-cyclohexyl-4-(2-fluorophenyl)-2-(2-methoxyethylamino)-N-methylpyrimidine-5-carboxamide (CID 59421169) is N-cyclohexyl-4-(2-fluorophenyl)-2-(2-methoxyethylamino)-N-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(2-fluorophenyl)-2-(2-methoxyethylamino)-N-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(2-fluorophenyl)-2-(2-methoxyethylamino)-N-methylpyrimidine-5-carboxamide is COCCNc1ncc(C(=O)N(C)C2CCCCC2)c(-c2ccccc2F)n1.
What is the InChIKey of N-cyclohexyl-4-(2-fluorophenyl)-2-(2-methoxyethylamino)-N-methylpyrimidine-5-carboxamide?
The InChIKey is UZGYWVBQTAKXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O2/c1-26(15-8-4-3-5-9-15)20(27)17-14-24-21(23-12-13-28-2)25-19(17)16-10-6-7-11-18(16)22/h6-7,10-11,14-15H,3-5,8-9,12-13H2,1-2H3,(H,23,24,25).
What are the key properties of N-cyclohexyl-4-(2-fluorophenyl)-2-(2-methoxyethylamino)-N-methylpyrimidine-5-carboxamide?
N-cyclohexyl-4-(2-fluorophenyl)-2-(2-methoxyethylamino)-N-methylpyrimidine-5-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2-fluorophenyl)-2-(2-methoxyethylamino)-N-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 59421169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).