4-(2-fluorophenyl)-2-morpholin-4-yl-N-(2-phenylcyclopropyl)pyrimidine-5-carboxamide

C24H23FN4O2 — CID 59421325

IUPAC4-(2-fluorophenyl)-2-morpholin-4-yl-N-(2-phenylcyclopropyl)pyrimidine-5-carboxamide
SMILESO=C(NC1CC1c1ccccc1)c1cnc(N2CCOCC2)nc1-c1ccccc1F
InChIInChI=1S/C24H23FN4O2/c25-20-9-5-4-8-17(20)22-19(15-26-24(28-22)29-10-12-31-13-11-29)23(30)27-21-14-18(21)16-6-2-1-3-7-16/h1-9,15,18,21H,10-14H2,(H,27,30)
InChIKeyDGCVFJUCBOQQJM-UHFFFAOYSA-N
MW418.47 g/mol
LogP3.41
Rot. Bonds5

About 4-(2-fluorophenyl)-2-morpholin-4-yl-N-(2-phenylcyclopropyl)pyrimidine-5-carboxamide

4-(2-fluorophenyl)-2-morpholin-4-yl-N-(2-phenylcyclopropyl)pyrimidine-5-carboxamide (PubChem CID 59421325) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-morpholin-4-yl-N-(2-phenylcyclopropyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-morpholin-4-yl-N-(2-phenylcyclopropyl)pyrimidine-5-carboxamide
PubChem CID59421325
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name4-(2-fluorophenyl)-2-morpholin-4-yl-N-(2-phenylcyclopropyl)pyrimidine-5-carboxamide
SMILESO=C(NC1CC1c1ccccc1)c1cnc(N2CCOCC2)nc1-c1ccccc1F
InChIInChI=1S/C24H23FN4O2/c25-20-9-5-4-8-17(20)22-19(15-26-24(28-22)29-10-12-31-13-11-29)23(30)27-21-14-18(21)16-6-2-1-3-7-16/h1-9,15,18,21H,10-14H2,(H,27,30)
InChIKeyDGCVFJUCBOQQJM-UHFFFAOYSA-N
XLogP3.41
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 59421229
[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 58674751
[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 59421280
4-benzyl-N-cyclobutyl-6-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 69354435
N-[(4-tert-butylphenyl)methyl]-N-cyclopropyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 11620083
N-cyclopropyl-4-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 11648323
2-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-4-(2-fluorophenyl)pyrimidine-5-carboxylic acid
CID 159934380
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]methanone
CID 11547457
N-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide
CID 59421141
4-(2-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen
CID 159670575
4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 66504097
N-cyclopropyl-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66505785

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-morpholin-4-yl-N-(2-phenylcyclopropyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-(2-fluorophenyl)-2-morpholin-4-yl-N-(2-phenylcyclopropyl)pyrimidine-5-carboxamide (CID 59421325) is 4-(2-fluorophenyl)-2-morpholin-4-yl-N-(2-phenylcyclopropyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(2-fluorophenyl)-2-morpholin-4-yl-N-(2-phenylcyclopropyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-(2-fluorophenyl)-2-morpholin-4-yl-N-(2-phenylcyclopropyl)pyrimidine-5-carboxamide is O=C(NC1CC1c1ccccc1)c1cnc(N2CCOCC2)nc1-c1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)-2-morpholin-4-yl-N-(2-phenylcyclopropyl)pyrimidine-5-carboxamide?
The InChIKey is DGCVFJUCBOQQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c25-20-9-5-4-8-17(20)22-19(15-26-24(28-22)29-10-12-31-13-11-29)23(30)27-21-14-18(21)16-6-2-1-3-7-16/h1-9,15,18,21H,10-14H2,(H,27,30).
What are the key properties of 4-(2-fluorophenyl)-2-morpholin-4-yl-N-(2-phenylcyclopropyl)pyrimidine-5-carboxamide?
4-(2-fluorophenyl)-2-morpholin-4-yl-N-(2-phenylcyclopropyl)pyrimidine-5-carboxamide has a molecular weight of 418.47 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-morpholin-4-yl-N-(2-phenylcyclopropyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 59421325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).