6-(N-ethylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide

C18H18N4O2 — CID 109346373

IUPAC6-(N-ethylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCCN(c1ccccc1)c1cc(C(=O)NCc2ccco2)ncn1
InChIInChI=1S/C18H18N4O2/c1-2-22(14-7-4-3-5-8-14)17-11-16(20-13-21-17)18(23)19-12-15-9-6-10-24-15/h3-11,13H,2,12H2,1H3,(H,19,23)
InChIKeyAWDKNEMCDKRJPB-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.16
Rot. Bonds6

About 6-(N-ethylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide

6-(N-ethylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109346373) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 6-(N-ethylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(N-ethylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109346373
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name6-(N-ethylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCCN(c1ccccc1)c1cc(C(=O)NCc2ccco2)ncn1
InChIInChI=1S/C18H18N4O2/c1-2-22(14-7-4-3-5-8-14)17-11-16(20-13-21-17)18(23)19-12-15-9-6-10-24-15/h3-11,13H,2,12H2,1H3,(H,19,23)
InChIKeyAWDKNEMCDKRJPB-UHFFFAOYSA-N
XLogP3.16
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(dipropylamino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346353
4-N-ethyl-6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112858629
5-(N-ethylanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109231367
6-(N-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350583
6-(N-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354322
6-(N-ethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109355985
N-(4-bromophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357416
N-(furan-2-ylmethyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109303485
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

Frequently Asked Questions

What is the IUPAC name of 6-(N-ethylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(N-ethylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide (CID 109346373) is 6-(N-ethylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(N-ethylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(N-ethylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide is CCN(c1ccccc1)c1cc(C(=O)NCc2ccco2)ncn1.
What is the InChIKey of 6-(N-ethylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is AWDKNEMCDKRJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-2-22(14-7-4-3-5-8-14)17-11-16(20-13-21-17)18(23)19-12-15-9-6-10-24-15/h3-11,13H,2,12H2,1H3,(H,19,23).
What are the key properties of 6-(N-ethylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
6-(N-ethylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-ethylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109346373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).