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

C26H27FN4O2 — CID 59410501

IUPACN-benzyl-N-cyclopropyl-4-(2-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCc1nc(N2CCOCC2)nc(-c2ccccc2F)c1C(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C26H27FN4O2/c1-18-23(25(32)31(20-11-12-20)17-19-7-3-2-4-8-19)24(21-9-5-6-10-22(21)27)29-26(28-18)30-13-15-33-16-14-30/h2-10,20H,11-17H2,1H3
InChIKeyMPAQBROBBAHWEC-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.23
Rot. Bonds6

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

N-benzyl-N-cyclopropyl-4-(2-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 59410501) has the molecular formula C26H27FN4O2 and a molecular weight of 446.53 g/mol. Its IUPAC name is N-benzyl-N-cyclopropyl-4-(2-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopropyl-4-(2-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID59410501
Molecular FormulaC26H27FN4O2
Molecular Weight446.53 g/mol
Exact Mass446.21
IUPAC NameN-benzyl-N-cyclopropyl-4-(2-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCc1nc(N2CCOCC2)nc(-c2ccccc2F)c1C(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C26H27FN4O2/c1-18-23(25(32)31(20-11-12-20)17-19-7-3-2-4-8-19)24(21-9-5-6-10-22(21)27)29-26(28-18)30-13-15-33-16-14-30/h2-10,20H,11-17H2,1H3
InChIKeyMPAQBROBBAHWEC-UHFFFAOYSA-N
XLogP4.23
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopropyl-4-(2-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-N-cyclopropyl-4-(2-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 59410501) is N-benzyl-N-cyclopropyl-4-(2-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-N-cyclopropyl-4-(2-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-N-cyclopropyl-4-(2-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide is Cc1nc(N2CCOCC2)nc(-c2ccccc2F)c1C(=O)N(Cc1ccccc1)C1CC1.
What is the InChIKey of N-benzyl-N-cyclopropyl-4-(2-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is MPAQBROBBAHWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O2/c1-18-23(25(32)31(20-11-12-20)17-19-7-3-2-4-8-19)24(21-9-5-6-10-22(21)27)29-26(28-18)30-13-15-33-16-14-30/h2-10,20H,11-17H2,1H3.
What are the key properties of N-benzyl-N-cyclopropyl-4-(2-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide?
N-benzyl-N-cyclopropyl-4-(2-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 446.53 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopropyl-4-(2-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 59410501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).