N-(2,4-dimethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide

C21H22N4O3 — CID 109357426

IUPACN-(2,4-dimethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
SMILESCCN(c1ccccc1)c1cc(C(=O)Nc2ccc(OC)cc2OC)ncn1
InChIInChI=1S/C21H22N4O3/c1-4-25(15-8-6-5-7-9-15)20-13-18(22-14-23-20)21(26)24-17-11-10-16(27-2)12-19(17)28-3/h5-14H,4H2,1-3H3,(H,24,26)
InChIKeyOBMZNNNFHJPXHD-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.90
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide

N-(2,4-dimethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide (PubChem CID 109357426) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
PubChem CID109357426
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-(2,4-dimethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
SMILESCCN(c1ccccc1)c1cc(C(=O)Nc2ccc(OC)cc2OC)ncn1
InChIInChI=1S/C21H22N4O3/c1-4-25(15-8-6-5-7-9-15)20-13-18(22-14-23-20)21(26)24-17-11-10-16(27-2)12-19(17)28-3/h5-14H,4H2,1-3H3,(H,24,26)
InChIKeyOBMZNNNFHJPXHD-UHFFFAOYSA-N
XLogP3.90
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357420
N-(2,5-dimethoxyphenyl)-6-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109359227
6-(N-ethyl-3-methylanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358783
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-(4-bromophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357416
4-(N-ethylanilino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109220319
N-(2,4-dimethoxyphenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109338769
N-(4-cyanophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357453
5-(N-ethylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109291800
6-(2,4-dimethoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355840
N-(2,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 109162325

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide (CID 109357426) is N-(2,4-dimethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide is CCN(c1ccccc1)c1cc(C(=O)Nc2ccc(OC)cc2OC)ncn1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide?
The InChIKey is OBMZNNNFHJPXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-4-25(15-8-6-5-7-9-15)20-13-18(22-14-23-20)21(26)24-17-11-10-16(27-2)12-19(17)28-3/h5-14H,4H2,1-3H3,(H,24,26).
What are the key properties of N-(2,4-dimethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide?
N-(2,4-dimethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109357426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).