6-(2-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide

C18H24N4O — CID 109354320

IUPAC6-(2-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCCc1ccccc1Nc1cc(C(=O)NCCC(C)C)ncn1
InChIInChI=1S/C18H24N4O/c1-4-14-7-5-6-8-15(14)22-17-11-16(20-12-21-17)18(23)19-10-9-13(2)3/h5-8,11-13H,4,9-10H2,1-3H3,(H,19,23)(H,20,21,22)
InChIKeyDRXYSHLJMLDCHK-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.56
Rot. Bonds7

About 6-(2-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide

6-(2-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide (PubChem CID 109354320) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-(2-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
PubChem CID109354320
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name6-(2-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCCc1ccccc1Nc1cc(C(=O)NCCC(C)C)ncn1
InChIInChI=1S/C18H24N4O/c1-4-14-7-5-6-8-15(14)22-17-11-16(20-12-21-17)18(23)19-10-9-13(2)3/h5-8,11-13H,4,9-10H2,1-3H3,(H,19,23)(H,20,21,22)
InChIKeyDRXYSHLJMLDCHK-UHFFFAOYSA-N
XLogP3.56
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-ethylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338538
6-(2-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350581
6-(2-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109349758
6-(4-bromoanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354342
6-[4-(diethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354368
6-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354367
methyl 4-chloro-3-[[6-(3-methylbutylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109354365
N-(4-chlorophenyl)-6-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109357249
6-(4-cyanoanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354404
6-(2-ethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109350972
6-(2-ethyl-6-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340481
6-(2,6-diethylanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344323

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide (CID 109354320) is 6-(2-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide is CCc1ccccc1Nc1cc(C(=O)NCCC(C)C)ncn1.
What is the InChIKey of 6-(2-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The InChIKey is DRXYSHLJMLDCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-14-7-5-6-8-15(14)22-17-11-16(20-12-21-17)18(23)19-10-9-13(2)3/h5-8,11-13H,4,9-10H2,1-3H3,(H,19,23)(H,20,21,22).
What are the key properties of 6-(2-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide?
6-(2-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109354320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).