2-morpholin-4-yl-4-(4-phenoxyphenyl)-N-(3-phenylpropyl)pyrimidine-5-carboxamide

C30H30N4O3 — CID 11518860

IUPAC2-morpholin-4-yl-4-(4-phenoxyphenyl)-N-(3-phenylpropyl)pyrimidine-5-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cnc(N2CCOCC2)nc1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C30H30N4O3/c35-29(31-17-7-10-23-8-3-1-4-9-23)27-22-32-30(34-18-20-36-21-19-34)33-28(27)24-13-15-26(16-14-24)37-25-11-5-2-6-12-25/h1-6,8-9,11-16,22H,7,10,17-21H2,(H,31,35)
InChIKeyZIUMOAQACWJWTR-UHFFFAOYSA-N
MW494.60 g/mol
LogP5.14
Rot. Bonds9

About 2-morpholin-4-yl-4-(4-phenoxyphenyl)-N-(3-phenylpropyl)pyrimidine-5-carboxamide

2-morpholin-4-yl-4-(4-phenoxyphenyl)-N-(3-phenylpropyl)pyrimidine-5-carboxamide (PubChem CID 11518860) has the molecular formula C30H30N4O3 and a molecular weight of 494.60 g/mol. Its IUPAC name is 2-morpholin-4-yl-4-(4-phenoxyphenyl)-N-(3-phenylpropyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-morpholin-4-yl-4-(4-phenoxyphenyl)-N-(3-phenylpropyl)pyrimidine-5-carboxamide
PubChem CID11518860
Molecular FormulaC30H30N4O3
Molecular Weight494.60 g/mol
Exact Mass494.23
IUPAC Name2-morpholin-4-yl-4-(4-phenoxyphenyl)-N-(3-phenylpropyl)pyrimidine-5-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cnc(N2CCOCC2)nc1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C30H30N4O3/c35-29(31-17-7-10-23-8-3-1-4-9-23)27-22-32-30(34-18-20-36-21-19-34)33-28(27)24-13-15-26(16-14-24)37-25-11-5-2-6-12-25/h1-6,8-9,11-16,22H,7,10,17-21H2,(H,31,35)
InChIKeyZIUMOAQACWJWTR-UHFFFAOYSA-N
XLogP5.14
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.60
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclohexa-2,4-dien-1-ylpropyl)-2-morpholin-4-yl-4-(4-phenoxyphenyl)pyrimidine-5-carboxamide
CID 70325835
4-methyl-2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide
CID 66504043
4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 59421229
6-(morpholine-4-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109096025
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66505704
2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-phenoxypyrimidine-5-carboxamide
CID 42670493
4-methyl-2-morpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide
CID 20959640
2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109300479
1-(4-morpholin-4-yl-6-phenoxypyrimidin-2-yl)-3-(3-phenylpropyl)thiourea
CID 100785522
N-[3-(4-methoxyphenyl)propyl]-4-morpholin-4-ylbenzamide
CID 70702781
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-4-pyridin-3-ylpyrimidine-5-carboxamide
CID 91952635
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 91952538

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-4-(4-phenoxyphenyl)-N-(3-phenylpropyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-morpholin-4-yl-4-(4-phenoxyphenyl)-N-(3-phenylpropyl)pyrimidine-5-carboxamide (CID 11518860) is 2-morpholin-4-yl-4-(4-phenoxyphenyl)-N-(3-phenylpropyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-morpholin-4-yl-4-(4-phenoxyphenyl)-N-(3-phenylpropyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-morpholin-4-yl-4-(4-phenoxyphenyl)-N-(3-phenylpropyl)pyrimidine-5-carboxamide is O=C(NCCCc1ccccc1)c1cnc(N2CCOCC2)nc1-c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-morpholin-4-yl-4-(4-phenoxyphenyl)-N-(3-phenylpropyl)pyrimidine-5-carboxamide?
The InChIKey is ZIUMOAQACWJWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O3/c35-29(31-17-7-10-23-8-3-1-4-9-23)27-22-32-30(34-18-20-36-21-19-34)33-28(27)24-13-15-26(16-14-24)37-25-11-5-2-6-12-25/h1-6,8-9,11-16,22H,7,10,17-21H2,(H,31,35).
What are the key properties of 2-morpholin-4-yl-4-(4-phenoxyphenyl)-N-(3-phenylpropyl)pyrimidine-5-carboxamide?
2-morpholin-4-yl-4-(4-phenoxyphenyl)-N-(3-phenylpropyl)pyrimidine-5-carboxamide has a molecular weight of 494.60 g/mol, XLogP of 5.14, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-4-(4-phenoxyphenyl)-N-(3-phenylpropyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 11518860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).