N-ethyl-4-(3-methylphenyl)-N-[(3-methylphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide

C26H30N4O2 — CID 59421326

IUPACN-ethyl-4-(3-methylphenyl)-N-[(3-methylphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCOCC2)nc1-c1cccc(C)c1
InChIInChI=1S/C26H30N4O2/c1-4-29(18-21-9-5-7-19(2)15-21)25(31)23-17-27-26(30-11-13-32-14-12-30)28-24(23)22-10-6-8-20(3)16-22/h5-10,15-17H,4,11-14,18H2,1-3H3
InChIKeyLNWCJLIULKSVKX-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.26
Rot. Bonds6

About N-ethyl-4-(3-methylphenyl)-N-[(3-methylphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide

N-ethyl-4-(3-methylphenyl)-N-[(3-methylphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 59421326) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-ethyl-4-(3-methylphenyl)-N-[(3-methylphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(3-methylphenyl)-N-[(3-methylphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID59421326
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC NameN-ethyl-4-(3-methylphenyl)-N-[(3-methylphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCOCC2)nc1-c1cccc(C)c1
InChIInChI=1S/C26H30N4O2/c1-4-29(18-21-9-5-7-19(2)15-21)25(31)23-17-27-26(30-11-13-32-14-12-30)28-24(23)22-10-6-8-20(3)16-22/h5-10,15-17H,4,11-14,18H2,1-3H3
InChIKeyLNWCJLIULKSVKX-UHFFFAOYSA-N
XLogP4.26
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-methylphenyl)-N-[(3-methylphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-ethyl-4-(3-methylphenyl)-N-[(3-methylphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 59421326) is N-ethyl-4-(3-methylphenyl)-N-[(3-methylphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-ethyl-4-(3-methylphenyl)-N-[(3-methylphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-ethyl-4-(3-methylphenyl)-N-[(3-methylphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide is CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCOCC2)nc1-c1cccc(C)c1.
What is the InChIKey of N-ethyl-4-(3-methylphenyl)-N-[(3-methylphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is LNWCJLIULKSVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-4-29(18-21-9-5-7-19(2)15-21)25(31)23-17-27-26(30-11-13-32-14-12-30)28-24(23)22-10-6-8-20(3)16-22/h5-10,15-17H,4,11-14,18H2,1-3H3.
What are the key properties of N-ethyl-4-(3-methylphenyl)-N-[(3-methylphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
N-ethyl-4-(3-methylphenyl)-N-[(3-methylphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-methylphenyl)-N-[(3-methylphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 59421326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).