N-benzyl-2-morpholin-4-yl-4-(4-phenoxycyclohexa-2,4-dien-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide

C31H34N4O3 — CID 70325945

IUPACN-benzyl-2-morpholin-4-yl-4-(4-phenoxycyclohexa-2,4-dien-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cnc(N2CCOCC2)nc1C1C=CC(Oc2ccccc2)=CC1
InChIInChI=1S/C31H34N4O3/c1-23(2)35(22-24-9-5-3-6-10-24)30(36)28-21-32-31(34-17-19-37-20-18-34)33-29(28)25-13-15-27(16-14-25)38-26-11-7-4-8-12-26/h3-13,15-16,21,23,25H,14,17-20,22H2,1-2H3
InChIKeyRMNGYSMRCPASRE-UHFFFAOYSA-N
MW510.64 g/mol
LogP5.37
Rot. Bonds8

About N-benzyl-2-morpholin-4-yl-4-(4-phenoxycyclohexa-2,4-dien-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide

N-benzyl-2-morpholin-4-yl-4-(4-phenoxycyclohexa-2,4-dien-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 70325945) has the molecular formula C31H34N4O3 and a molecular weight of 510.64 g/mol. Its IUPAC name is N-benzyl-2-morpholin-4-yl-4-(4-phenoxycyclohexa-2,4-dien-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-morpholin-4-yl-4-(4-phenoxycyclohexa-2,4-dien-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide
PubChem CID70325945
Molecular FormulaC31H34N4O3
Molecular Weight510.64 g/mol
Exact Mass510.26
IUPAC NameN-benzyl-2-morpholin-4-yl-4-(4-phenoxycyclohexa-2,4-dien-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cnc(N2CCOCC2)nc1C1C=CC(Oc2ccccc2)=CC1
InChIInChI=1S/C31H34N4O3/c1-23(2)35(22-24-9-5-3-6-10-24)30(36)28-21-32-31(34-17-19-37-20-18-34)33-29(28)25-13-15-27(16-14-25)38-26-11-7-4-8-12-26/h3-13,15-16,21,23,25H,14,17-20,22H2,1-2H3
InChIKeyRMNGYSMRCPASRE-UHFFFAOYSA-N
XLogP5.37
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.64
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

4-(2-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen
CID 159670575
N-benzyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249433
2-morpholin-4-yl-4-(4-phenoxyphenyl)-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 11518860
2-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyrimidine-5-carboxamide
CID 109254780
N-benzyl-2-(4-ethylpiperazin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109302421
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
N-benzyl-5-oxo-N-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4150639
methyl (E)-5-[benzyl-[4-(4-methoxyanilino)-2-morpholin-4-ylpyrimidine-5-carbonyl]amino]pent-3-enoate
CID 175358335
N-cyclopropyl-4-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 11648323
N-benzyl-2-methyl-N-propan-2-ylbenzamide
CID 562391
N-benzyl-3-morpholin-4-yl-N-propan-2-ylpropanamide
CID 110688462

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-morpholin-4-yl-4-(4-phenoxycyclohexa-2,4-dien-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-2-morpholin-4-yl-4-(4-phenoxycyclohexa-2,4-dien-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide (CID 70325945) is N-benzyl-2-morpholin-4-yl-4-(4-phenoxycyclohexa-2,4-dien-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-2-morpholin-4-yl-4-(4-phenoxycyclohexa-2,4-dien-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-2-morpholin-4-yl-4-(4-phenoxycyclohexa-2,4-dien-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2CCOCC2)nc1C1C=CC(Oc2ccccc2)=CC1.
What is the InChIKey of N-benzyl-2-morpholin-4-yl-4-(4-phenoxycyclohexa-2,4-dien-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is RMNGYSMRCPASRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O3/c1-23(2)35(22-24-9-5-3-6-10-24)30(36)28-21-32-31(34-17-19-37-20-18-34)33-29(28)25-13-15-27(16-14-25)38-26-11-7-4-8-12-26/h3-13,15-16,21,23,25H,14,17-20,22H2,1-2H3.
What are the key properties of N-benzyl-2-morpholin-4-yl-4-(4-phenoxycyclohexa-2,4-dien-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide?
N-benzyl-2-morpholin-4-yl-4-(4-phenoxycyclohexa-2,4-dien-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 510.64 g/mol, XLogP of 5.37, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-morpholin-4-yl-4-(4-phenoxycyclohexa-2,4-dien-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 70325945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).