N-cyclopropyl-4-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide

C26H27FN4O3 — CID 11648323

IUPACN-cyclopropyl-4-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCOc1ccc(CN(C(=O)c2cnc(N3CCOCC3)nc2-c2ccccc2F)C2CC2)cc1
InChIInChI=1S/C26H27FN4O3/c1-33-20-10-6-18(7-11-20)17-31(19-8-9-19)25(32)22-16-28-26(30-12-14-34-15-13-30)29-24(22)21-4-2-3-5-23(21)27/h2-7,10-11,16,19H,8-9,12-15,17H2,1H3
InChIKeyGTLAPBIEOTXRQJ-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.93
Rot. Bonds7

About N-cyclopropyl-4-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide

N-cyclopropyl-4-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 11648323) has the molecular formula C26H27FN4O3 and a molecular weight of 462.53 g/mol. Its IUPAC name is N-cyclopropyl-4-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID11648323
Molecular FormulaC26H27FN4O3
Molecular Weight462.53 g/mol
Exact Mass462.21
IUPAC NameN-cyclopropyl-4-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCOc1ccc(CN(C(=O)c2cnc(N3CCOCC3)nc2-c2ccccc2F)C2CC2)cc1
InChIInChI=1S/C26H27FN4O3/c1-33-20-10-6-18(7-11-20)17-31(19-8-9-19)25(32)22-16-28-26(30-12-14-34-15-13-30)29-24(22)21-4-2-3-5-23(21)27/h2-7,10-11,16,19H,8-9,12-15,17H2,1H3
InChIKeyGTLAPBIEOTXRQJ-UHFFFAOYSA-N
XLogP3.93
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-N-cyclopropyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 11620083
N-benzyl-N-cyclohexyl-4-(2-fluorophenyl)-2-thiomorpholin-4-ylpyrimidine-5-carboxamide
CID 11496851
N-benzyl-N-cyclopropyl-4-(2-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 59410501
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)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 59421229
4-(2-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen
CID 159670575
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(2-methoxyphenyl)-N-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 54174725
N-cyclopropyl-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide
CID 46028113
(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)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 59421280
[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 58674751

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-cyclopropyl-4-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 11648323) is N-cyclopropyl-4-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-cyclopropyl-4-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide is COc1ccc(CN(C(=O)c2cnc(N3CCOCC3)nc2-c2ccccc2F)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is GTLAPBIEOTXRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O3/c1-33-20-10-6-18(7-11-20)17-31(19-8-9-19)25(32)22-16-28-26(30-12-14-34-15-13-30)29-24(22)21-4-2-3-5-23(21)27/h2-7,10-11,16,19H,8-9,12-15,17H2,1H3.
What are the key properties of N-cyclopropyl-4-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
N-cyclopropyl-4-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 462.53 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 11648323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).