N-(3,4-dimethoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide

C22H24N4O3 — CID 109269982

IUPACN-(3,4-dimethoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
SMILESCCN(c1cccc(C)c1)c1ncc(C(=O)Nc2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C22H24N4O3/c1-5-26(18-8-6-7-15(2)11-18)22-23-13-16(14-24-22)21(27)25-17-9-10-19(28-3)20(12-17)29-4/h6-14H,5H2,1-4H3,(H,25,27)
InChIKeyAOAIVPHMOIXZHA-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.21
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide

N-(3,4-dimethoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide (PubChem CID 109269982) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
PubChem CID109269982
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
SMILESCCN(c1cccc(C)c1)c1ncc(C(=O)Nc2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C22H24N4O3/c1-5-26(18-8-6-7-15(2)11-18)22-23-13-16(14-24-22)21(27)25-17-9-10-19(28-3)20(12-17)29-4/h6-14H,5H2,1-4H3,(H,25,27)
InChIKeyAOAIVPHMOIXZHA-UHFFFAOYSA-N
XLogP4.21
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109269318
2-(N-ethyl-3-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265763
N-(3,4-dimethoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109318103
2-(N-ethyl-3-methylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109268042
2-(N-ethyl-3-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide
CID 109247056
methyl 2-[[2-(N-ethyl-3-methylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109270199
N-(3-chloro-4-methoxyphenyl)-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide
CID 109245017
N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide
CID 113051420
N-(3,4-dimethoxyphenyl)-5-(N-ethylanilino)pyridine-3-carboxamide
CID 109243640
N-(5-chloro-2-methylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109269032
N-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]-3,5-dimethoxybenzamide
CID 113022970
N-[2-(dimethylamino)ethyl]-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109252850

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide (CID 109269982) is N-(3,4-dimethoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide is CCN(c1cccc(C)c1)c1ncc(C(=O)Nc2ccc(OC)c(OC)c2)cn1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide?
The InChIKey is AOAIVPHMOIXZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-5-26(18-8-6-7-15(2)11-18)22-23-13-16(14-24-22)21(27)25-17-9-10-19(28-3)20(12-17)29-4/h6-14H,5H2,1-4H3,(H,25,27).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide?
N-(3,4-dimethoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109269982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).