4-benzyl-N-cyclobutyl-6-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide

C26H27FN4O2 — CID 69354435

IUPAC4-benzyl-N-cyclobutyl-6-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESO=C(NC1CCC1)c1c(Cc2ccccc2)nc(N2CCOCC2)nc1-c1ccccc1F
InChIInChI=1S/C26H27FN4O2/c27-21-12-5-4-11-20(21)24-23(25(32)28-19-9-6-10-19)22(17-18-7-2-1-3-8-18)29-26(30-24)31-13-15-33-16-14-31/h1-5,7-8,11-12,19H,6,9-10,13-17H2,(H,28,32)
InChIKeyHMINJYWPSFQIDQ-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.99
Rot. Bonds6

About 4-benzyl-N-cyclobutyl-6-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide

4-benzyl-N-cyclobutyl-6-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 69354435) has the molecular formula C26H27FN4O2 and a molecular weight of 446.53 g/mol. Its IUPAC name is 4-benzyl-N-cyclobutyl-6-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-cyclobutyl-6-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID69354435
Molecular FormulaC26H27FN4O2
Molecular Weight446.53 g/mol
Exact Mass446.21
IUPAC Name4-benzyl-N-cyclobutyl-6-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESO=C(NC1CCC1)c1c(Cc2ccccc2)nc(N2CCOCC2)nc1-c1ccccc1F
InChIInChI=1S/C26H27FN4O2/c27-21-12-5-4-11-20(21)24-23(25(32)28-19-9-6-10-19)22(17-18-7-2-1-3-8-18)29-26(30-24)31-13-15-33-16-14-31/h1-5,7-8,11-12,19H,6,9-10,13-17H2,(H,28,32)
InChIKeyHMINJYWPSFQIDQ-UHFFFAOYSA-N
XLogP3.99
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-cyclobutyl-6-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-benzyl-N-cyclobutyl-6-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 69354435) is 4-benzyl-N-cyclobutyl-6-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-benzyl-N-cyclobutyl-6-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-benzyl-N-cyclobutyl-6-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide is O=C(NC1CCC1)c1c(Cc2ccccc2)nc(N2CCOCC2)nc1-c1ccccc1F.
What is the InChIKey of 4-benzyl-N-cyclobutyl-6-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is HMINJYWPSFQIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O2/c27-21-12-5-4-11-20(21)24-23(25(32)28-19-9-6-10-19)22(17-18-7-2-1-3-8-18)29-26(30-24)31-13-15-33-16-14-31/h1-5,7-8,11-12,19H,6,9-10,13-17H2,(H,28,32).
What are the key properties of 4-benzyl-N-cyclobutyl-6-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
4-benzyl-N-cyclobutyl-6-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 446.53 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-cyclobutyl-6-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 69354435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).