N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(N-ethylanilino)pyrimidine-4-carboxamide

C21H20N4O3 — CID 109357445

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
SMILESCCN(c1ccccc1)c1cc(C(=O)Nc2ccc3c(c2)OCCO3)ncn1
InChIInChI=1S/C21H20N4O3/c1-2-25(16-6-4-3-5-7-16)20-13-17(22-14-23-20)21(26)24-15-8-9-18-19(12-15)28-11-10-27-18/h3-9,12-14H,2,10-11H2,1H3,(H,24,26)
InChIKeySAYXZGGKXPFEKO-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.66
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(N-ethylanilino)pyrimidine-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(N-ethylanilino)pyrimidine-4-carboxamide (PubChem CID 109357445) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(N-ethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
PubChem CID109357445
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
SMILESCCN(c1ccccc1)c1cc(C(=O)Nc2ccc3c(c2)OCCO3)ncn1
InChIInChI=1S/C21H20N4O3/c1-2-25(16-6-4-3-5-7-16)20-13-17(22-14-23-20)21(26)24-15-8-9-18-19(12-15)28-11-10-27-18/h3-9,12-14H,2,10-11H2,1H3,(H,24,26)
InChIKeySAYXZGGKXPFEKO-UHFFFAOYSA-N
XLogP3.66
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-6-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109359739
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109267691
N-(4-cyanophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357453
N-(3-chloro-4-methoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357414
6-(N-ethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109355985
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109338800
6-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4-carboxamide
CID 109339973
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109358994
6-(N-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350583
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109357395
N-(2,4-dimethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357426
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-ethyl-N'-phenyloxamide
CID 108986912

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(N-ethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(N-ethylanilino)pyrimidine-4-carboxamide (CID 109357445) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(N-ethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(N-ethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(N-ethylanilino)pyrimidine-4-carboxamide is CCN(c1ccccc1)c1cc(C(=O)Nc2ccc3c(c2)OCCO3)ncn1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(N-ethylanilino)pyrimidine-4-carboxamide?
The InChIKey is SAYXZGGKXPFEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-2-25(16-6-4-3-5-7-16)20-13-17(22-14-23-20)21(26)24-15-8-9-18-19(12-15)28-11-10-27-18/h3-9,12-14H,2,10-11H2,1H3,(H,24,26).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(N-ethylanilino)pyrimidine-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(N-ethylanilino)pyrimidine-4-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(N-ethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109357445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).