6-(N-ethyl-3-methylanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide

C21H22N4O2 — CID 109358783

IUPAC6-(N-ethyl-3-methylanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCCN(c1cccc(C)c1)c1cc(C(=O)Nc2ccccc2OC)ncn1
InChIInChI=1S/C21H22N4O2/c1-4-25(16-9-7-8-15(2)12-16)20-13-18(22-14-23-20)21(26)24-17-10-5-6-11-19(17)27-3/h5-14H,4H2,1-3H3,(H,24,26)
InChIKeyALKXDNCFLDXGLJ-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.20
Rot. Bonds6

About 6-(N-ethyl-3-methylanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide

6-(N-ethyl-3-methylanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109358783) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-(N-ethyl-3-methylanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(N-ethyl-3-methylanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109358783
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name6-(N-ethyl-3-methylanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCCN(c1cccc(C)c1)c1cc(C(=O)Nc2ccccc2OC)ncn1
InChIInChI=1S/C21H22N4O2/c1-4-25(16-9-7-8-15(2)12-16)20-13-18(22-14-23-20)21(26)24-17-10-5-6-11-19(17)27-3/h5-14H,4H2,1-3H3,(H,24,26)
InChIKeyALKXDNCFLDXGLJ-UHFFFAOYSA-N
XLogP4.20
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-6-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109359227
N-(2-ethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357420
N-(2,4-dimethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357426
6-(N-ethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109355985
4-(N-ethylanilino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109220319
5-(N-ethylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109291800
N-(3-chloro-4-methoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357414
N-(1,3-benzodioxol-5-yl)-6-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109359739
6-(N-ethyl-3-methylanilino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109351156
N-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113022991
2-(N-ethyl-3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109317989
N-(2-ethoxyphenyl)-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849486

Frequently Asked Questions

What is the IUPAC name of 6-(N-ethyl-3-methylanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(N-ethyl-3-methylanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide (CID 109358783) is 6-(N-ethyl-3-methylanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(N-ethyl-3-methylanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(N-ethyl-3-methylanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide is CCN(c1cccc(C)c1)c1cc(C(=O)Nc2ccccc2OC)ncn1.
What is the InChIKey of 6-(N-ethyl-3-methylanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is ALKXDNCFLDXGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-4-25(16-9-7-8-15(2)12-16)20-13-18(22-14-23-20)21(26)24-17-10-5-6-11-19(17)27-3/h5-14H,4H2,1-3H3,(H,24,26).
What are the key properties of 6-(N-ethyl-3-methylanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide?
6-(N-ethyl-3-methylanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-ethyl-3-methylanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109358783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).