N-cyclohexyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide

C21H25FN4O2 — CID 11574532

IUPACN-cyclohexyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cnc(N2CCOCC2)nc1-c1ccccc1F
InChIInChI=1S/C21H25FN4O2/c22-18-9-5-4-8-16(18)19-17(20(27)24-15-6-2-1-3-7-15)14-23-21(25-19)26-10-12-28-13-11-26/h4-5,8-9,14-15H,1-3,6-7,10-13H2,(H,24,27)
InChIKeyJCGIGOAKSQXZDC-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.18
Rot. Bonds4

About N-cyclohexyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide

N-cyclohexyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 11574532) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is N-cyclohexyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID11574532
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC NameN-cyclohexyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cnc(N2CCOCC2)nc1-c1ccccc1F
InChIInChI=1S/C21H25FN4O2/c22-18-9-5-4-8-16(18)19-17(20(27)24-15-6-2-1-3-7-15)14-23-21(25-19)26-10-12-28-13-11-26/h4-5,8-9,14-15H,1-3,6-7,10-13H2,(H,24,27)
InChIKeyJCGIGOAKSQXZDC-UHFFFAOYSA-N
XLogP3.18
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-cyclohexyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 11574532) is N-cyclohexyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide is O=C(NC1CCCCC1)c1cnc(N2CCOCC2)nc1-c1ccccc1F.
What is the InChIKey of N-cyclohexyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is JCGIGOAKSQXZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c22-18-9-5-4-8-16(18)19-17(20(27)24-15-6-2-1-3-7-15)14-23-21(25-19)26-10-12-28-13-11-26/h4-5,8-9,14-15H,1-3,6-7,10-13H2,(H,24,27).
What are the key properties of N-cyclohexyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
N-cyclohexyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 3.18, 4 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-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 11574532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).