N-butyl-2-(N-ethylanilino)-N-methylpyrimidine-4-carboxamide

C18H24N4O — CID 109312336

IUPACN-butyl-2-(N-ethylanilino)-N-methylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1ccnc(N(CC)c2ccccc2)n1
InChIInChI=1S/C18H24N4O/c1-4-6-14-21(3)17(23)16-12-13-19-18(20-16)22(5-2)15-10-8-7-9-11-15/h7-13H,4-6,14H2,1-3H3
InChIKeyLREPQYWDQQAQFR-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.51
Rot. Bonds7

About N-butyl-2-(N-ethylanilino)-N-methylpyrimidine-4-carboxamide

N-butyl-2-(N-ethylanilino)-N-methylpyrimidine-4-carboxamide (PubChem CID 109312336) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-butyl-2-(N-ethylanilino)-N-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(N-ethylanilino)-N-methylpyrimidine-4-carboxamide
PubChem CID109312336
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-butyl-2-(N-ethylanilino)-N-methylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1ccnc(N(CC)c2ccccc2)n1
InChIInChI=1S/C18H24N4O/c1-4-6-14-21(3)17(23)16-12-13-19-18(20-16)22(5-2)15-10-8-7-9-11-15/h7-13H,4-6,14H2,1-3H3
InChIKeyLREPQYWDQQAQFR-UHFFFAOYSA-N
XLogP3.51
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-(N-ethyl-3-methylanilino)-N-methylpyrimidine-4-carboxamide
CID 109312422
2-[benzyl(methyl)amino]-N-butyl-N-methylpyrimidine-4-carboxamide
CID 109305016
2-(N-ethylanilino)-N-propylpyrimidine-4-carboxamide
CID 109295026
2-(N-benzylanilino)-N-butyl-N,6-dimethylpyrimidine-4-carboxamide
CID 109333713
2-N-butyl-6-N,6-N-diethyl-2-N-methylpyridine-2,6-dicarboxamide
CID 109098960
N-butyl-2-[4-(diethylamino)anilino]-N-methylpyrimidine-4-carboxamide
CID 109312384
6-N-benzyl-2-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-dicarboxamide
CID 109098082
4-[benzyl(methyl)amino]-N-butyl-N-methylpyridine-2-carboxamide
CID 109211042
N-ethyl-2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109315921
N-butyl-4-[butyl(methyl)amino]-N-methylpyridine-2-carboxamide
CID 109217701
N-(3,5-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109315184
4-amino-N-butyl-N-methylpyridine-2-carboxamide
CID 62153373

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(N-ethylanilino)-N-methylpyrimidine-4-carboxamide?
The IUPAC name of N-butyl-2-(N-ethylanilino)-N-methylpyrimidine-4-carboxamide (CID 109312336) is N-butyl-2-(N-ethylanilino)-N-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-2-(N-ethylanilino)-N-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-2-(N-ethylanilino)-N-methylpyrimidine-4-carboxamide is CCCCN(C)C(=O)c1ccnc(N(CC)c2ccccc2)n1.
What is the InChIKey of N-butyl-2-(N-ethylanilino)-N-methylpyrimidine-4-carboxamide?
The InChIKey is LREPQYWDQQAQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-6-14-21(3)17(23)16-12-13-19-18(20-16)22(5-2)15-10-8-7-9-11-15/h7-13H,4-6,14H2,1-3H3.
What are the key properties of N-butyl-2-(N-ethylanilino)-N-methylpyrimidine-4-carboxamide?
N-butyl-2-(N-ethylanilino)-N-methylpyrimidine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(N-ethylanilino)-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109312336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).