N-butyl-6-(4-ethylanilino)-N-methylpyrimidine-4-carboxamide

C18H24N4O — CID 109354756

IUPACN-butyl-6-(4-ethylanilino)-N-methylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(Nc2ccc(CC)cc2)ncn1
InChIInChI=1S/C18H24N4O/c1-4-6-11-22(3)18(23)16-12-17(20-13-19-16)21-15-9-7-14(5-2)8-10-15/h7-10,12-13H,4-6,11H2,1-3H3,(H,19,20,21)
InChIKeyHTVLGTTWXUHKBC-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.65
Rot. Bonds7

About N-butyl-6-(4-ethylanilino)-N-methylpyrimidine-4-carboxamide

N-butyl-6-(4-ethylanilino)-N-methylpyrimidine-4-carboxamide (PubChem CID 109354756) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-butyl-6-(4-ethylanilino)-N-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-6-(4-ethylanilino)-N-methylpyrimidine-4-carboxamide
PubChem CID109354756
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-butyl-6-(4-ethylanilino)-N-methylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(Nc2ccc(CC)cc2)ncn1
InChIInChI=1S/C18H24N4O/c1-4-6-11-22(3)18(23)16-12-17(20-13-19-16)21-15-9-7-14(5-2)8-10-15/h7-10,12-13H,4-6,11H2,1-3H3,(H,19,20,21)
InChIKeyHTVLGTTWXUHKBC-UHFFFAOYSA-N
XLogP3.65
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-6-[4-(dimethylamino)anilino]-N-methylpyrimidine-4-carboxamide
CID 109354803
N-butyl-6-(3,4-dimethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109354751
N-butyl-6-(3,4-dimethoxyanilino)-N-methylpyrimidine-4-carboxamide
CID 109354790
N-butyl-6-(2,5-dimethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109354750
N-butyl-2-(4-ethylanilino)-N,6-dimethylpyrimidine-4-carboxamide
CID 109333659
N-butyl-6-[2-(4-chlorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide
CID 109352334
6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109355343
N-benzyl-6-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109346690
6-[4-(diethylamino)anilino]-N,N-dipropylpyrimidine-4-carboxamide
CID 109355395
6-(4-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347444
6-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109351695
N-butyl-N-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109352286

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(4-ethylanilino)-N-methylpyrimidine-4-carboxamide?
The IUPAC name of N-butyl-6-(4-ethylanilino)-N-methylpyrimidine-4-carboxamide (CID 109354756) is N-butyl-6-(4-ethylanilino)-N-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-6-(4-ethylanilino)-N-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-6-(4-ethylanilino)-N-methylpyrimidine-4-carboxamide is CCCCN(C)C(=O)c1cc(Nc2ccc(CC)cc2)ncn1.
What is the InChIKey of N-butyl-6-(4-ethylanilino)-N-methylpyrimidine-4-carboxamide?
The InChIKey is HTVLGTTWXUHKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-6-11-22(3)18(23)16-12-17(20-13-19-16)21-15-9-7-14(5-2)8-10-15/h7-10,12-13H,4-6,11H2,1-3H3,(H,19,20,21).
What are the key properties of N-butyl-6-(4-ethylanilino)-N-methylpyrimidine-4-carboxamide?
N-butyl-6-(4-ethylanilino)-N-methylpyrimidine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(4-ethylanilino)-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109354756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).