6-(N-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide

C18H24N4O — CID 109354322

IUPAC6-(N-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCCN(c1ccccc1)c1cc(C(=O)NCCC(C)C)ncn1
InChIInChI=1S/C18H24N4O/c1-4-22(15-8-6-5-7-9-15)17-12-16(20-13-21-17)18(23)19-11-10-14(2)3/h5-9,12-14H,4,10-11H2,1-3H3,(H,19,23)
InChIKeyPNNXTHMJUMXPDH-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.41
Rot. Bonds7

About 6-(N-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide

6-(N-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide (PubChem CID 109354322) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-(N-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(N-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
PubChem CID109354322
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name6-(N-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCCN(c1ccccc1)c1cc(C(=O)NCCC(C)C)ncn1
InChIInChI=1S/C18H24N4O/c1-4-22(15-8-6-5-7-9-15)17-12-16(20-13-21-17)18(23)19-11-10-14(2)3/h5-9,12-14H,4,10-11H2,1-3H3,(H,19,23)
InChIKeyPNNXTHMJUMXPDH-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(N-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350583
4-N-ethyl-6-N-(3-methylbutyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112864003
6-(N-ethylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346373
6-(N-ethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109355985
N-(4-bromophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357416
N-(2-ethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357420
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357445
N-benzyl-N-ethyl-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109349515
N-(4-cyanophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357453
6-(2-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354320
6-[4-(diethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354368
6-(N-ethyl-3-methylanilino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109351156

Frequently Asked Questions

What is the IUPAC name of 6-(N-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(N-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide (CID 109354322) is 6-(N-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(N-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(N-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide is CCN(c1ccccc1)c1cc(C(=O)NCCC(C)C)ncn1.
What is the InChIKey of 6-(N-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The InChIKey is PNNXTHMJUMXPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-22(15-8-6-5-7-9-15)17-12-16(20-13-21-17)18(23)19-11-10-14(2)3/h5-9,12-14H,4,10-11H2,1-3H3,(H,19,23).
What are the key properties of 6-(N-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide?
6-(N-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109354322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).