N,N-diethyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide

C18H24N4O — CID 109332354

IUPACN,N-diethyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
SMILESCCc1ccc(Nc2nc(C)cc(C(=O)N(CC)CC)n2)cc1
InChIInChI=1S/C18H24N4O/c1-5-14-8-10-15(11-9-14)20-18-19-13(4)12-16(21-18)17(23)22(6-2)7-3/h8-12H,5-7H2,1-4H3,(H,19,20,21)
InChIKeyIYMTYYGTTWALJW-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.57
Rot. Bonds6

About N,N-diethyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide

N,N-diethyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109332354) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N,N-diethyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
PubChem CID109332354
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN,N-diethyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
SMILESCCc1ccc(Nc2nc(C)cc(C(=O)N(CC)CC)n2)cc1
InChIInChI=1S/C18H24N4O/c1-5-14-8-10-15(11-9-14)20-18-19-13(4)12-16(21-18)17(23)22(6-2)7-3/h8-12H,5-7H2,1-4H3,(H,19,20,21)
InChIKeyIYMTYYGTTWALJW-UHFFFAOYSA-N
XLogP3.57
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichloroanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide
CID 109332429
N-butyl-2-(4-ethylanilino)-N,6-dimethylpyrimidine-4-carboxamide
CID 109333659
2-(4-ethylanilino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319158
2-(1,3-benzodioxol-5-ylamino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide
CID 109332418
N,N-diethyl-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109332408
N-benzyl-N-ethyl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109329593
2-(4-ethylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334637
2-(4-ethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333217
N-[4-(dimethylamino)phenyl]-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336288
2-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328770
N-cyclopropyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109319937
N-cycloheptyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109332948

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N,N-diethyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide (CID 109332354) is N,N-diethyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N,N-diethyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide is CCc1ccc(Nc2nc(C)cc(C(=O)N(CC)CC)n2)cc1.
What is the InChIKey of N,N-diethyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is IYMTYYGTTWALJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-5-14-8-10-15(11-9-14)20-18-19-13(4)12-16(21-18)17(23)22(6-2)7-3/h8-12H,5-7H2,1-4H3,(H,19,20,21).
What are the key properties of N,N-diethyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide?
N,N-diethyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109332354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).