N-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide

C25H25FN4O4 — CID 59421141

IUPACN-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)N(C(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F)c1ccc2c(c1)OCO2
InChIInChI=1S/C25H25FN4O4/c1-16(2)30(17-7-8-21-22(13-17)34-15-33-21)24(31)19-14-27-25(29-9-11-32-12-10-29)28-23(19)18-5-3-4-6-20(18)26/h3-8,13-14,16H,9-12,15H2,1-2H3
InChIKeyXCDYIFXLOSLFSU-UHFFFAOYSA-N
MW464.50 g/mol
LogP3.90
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide

N-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 59421141) has the molecular formula C25H25FN4O4 and a molecular weight of 464.50 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide
PubChem CID59421141
Molecular FormulaC25H25FN4O4
Molecular Weight464.50 g/mol
Exact Mass464.19
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)N(C(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F)c1ccc2c(c1)OCO2
InChIInChI=1S/C25H25FN4O4/c1-16(2)30(17-7-8-21-22(13-17)34-15-33-21)24(31)19-14-27-25(29-9-11-32-12-10-29)28-23(19)18-5-3-4-6-20(18)26/h3-8,13-14,16H,9-12,15H2,1-2H3
InChIKeyXCDYIFXLOSLFSU-UHFFFAOYSA-N
XLogP3.90
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-fluorophenyl)-N-phenyl-N-propan-2-yl-2-thiomorpholin-4-ylpyrimidine-5-carboxamide
CID 59421277
4-(2-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen
CID 159670575
4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 59421229
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
[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-(2-fluorophenyl)-2-morpholin-4-yl-N-(2-phenylcyclopropyl)pyrimidine-5-carboxamide
CID 59421325
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]methanone
CID 11547457
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-(2-fluorophenyl)-N-(4-methoxyphenyl)-N-propan-2-ylpyrimidine-5-carboxamide;N-benzyl-4-(2-fluorophenyl)-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;N-cyclopropyl-4-(2-fluorophenyl)-6-methyl-N-[(4-methylphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-(3-methoxyphenyl)-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide
CID 158955561
4-(2-fluorophenyl)-6-methyl-N-phenyl-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide
CID 59421207
2-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-4-(2-fluorophenyl)pyrimidine-5-carboxylic acid
CID 159934380

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide (CID 59421141) is N-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide is CC(C)N(C(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is XCDYIFXLOSLFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O4/c1-16(2)30(17-7-8-21-22(13-17)34-15-33-21)24(31)19-14-27-25(29-9-11-32-12-10-29)28-23(19)18-5-3-4-6-20(18)26/h3-8,13-14,16H,9-12,15H2,1-2H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide?
N-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 464.50 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 59421141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).