N-ethyl-6-(N-ethylanilino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide

C23H26N4O — CID 112849511

IUPACN-ethyl-6-(N-ethylanilino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(N(CC)c2ccccc2)nc(C)n1)c1cccc(C)c1
InChIInChI=1S/C23H26N4O/c1-5-26(19-12-8-7-9-13-19)22-16-21(24-18(4)25-22)23(28)27(6-2)20-14-10-11-17(3)15-20/h7-16H,5-6H2,1-4H3
InChIKeyIGXGCLQJMPDCMU-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.92
Rot. Bonds6

About N-ethyl-6-(N-ethylanilino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide

N-ethyl-6-(N-ethylanilino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 112849511) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-ethyl-6-(N-ethylanilino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-(N-ethylanilino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
PubChem CID112849511
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-ethyl-6-(N-ethylanilino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(N(CC)c2ccccc2)nc(C)n1)c1cccc(C)c1
InChIInChI=1S/C23H26N4O/c1-5-26(19-12-8-7-9-13-19)22-16-21(24-18(4)25-22)23(28)27(6-2)20-14-10-11-17(3)15-20/h7-16H,5-6H2,1-4H3
InChIKeyIGXGCLQJMPDCMU-UHFFFAOYSA-N
XLogP4.92
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-6-(N-ethyl-3-methylanilino)-2-methylpyrimidine-4-carboxamide
CID 109366329
6-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369741
N-ethyl-2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109315921
N-ethyl-2-(N-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109267707
6-amino-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 62239482
N-[3-(dimethylamino)propyl]-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109366778
N-ethyl-2-(N-ethylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109336345
[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367085
6-(N-ethylanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849476
6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109372528
N-cyclohexyl-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109364018
4-N-ethyl-2-methyl-6-N-(3-methylphenyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112877026

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(N-ethylanilino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of N-ethyl-6-(N-ethylanilino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide (CID 112849511) is N-ethyl-6-(N-ethylanilino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-ethyl-6-(N-ethylanilino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-ethyl-6-(N-ethylanilino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide is CCN(C(=O)c1cc(N(CC)c2ccccc2)nc(C)n1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-6-(N-ethylanilino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is IGXGCLQJMPDCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-5-26(19-12-8-7-9-13-19)22-16-21(24-18(4)25-22)23(28)27(6-2)20-14-10-11-17(3)15-20/h7-16H,5-6H2,1-4H3.
What are the key properties of N-ethyl-6-(N-ethylanilino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide?
N-ethyl-6-(N-ethylanilino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(N-ethylanilino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 112849511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).