N-(2,5-dimethoxyphenyl)-6-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide

C22H24N4O3 — CID 109359227

IUPACN-(2,5-dimethoxyphenyl)-6-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
SMILESCCN(c1cccc(C)c1)c1cc(C(=O)Nc2cc(OC)ccc2OC)ncn1
InChIInChI=1S/C22H24N4O3/c1-5-26(16-8-6-7-15(2)11-16)21-13-19(23-14-24-21)22(27)25-18-12-17(28-3)9-10-20(18)29-4/h6-14H,5H2,1-4H3,(H,25,27)
InChIKeyJCTVSKUKYUJFMQ-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.21
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-6-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide

N-(2,5-dimethoxyphenyl)-6-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109359227) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-6-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-6-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
PubChem CID109359227
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(2,5-dimethoxyphenyl)-6-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
SMILESCCN(c1cccc(C)c1)c1cc(C(=O)Nc2cc(OC)ccc2OC)ncn1
InChIInChI=1S/C22H24N4O3/c1-5-26(16-8-6-7-15(2)11-16)21-13-19(23-14-24-21)22(27)25-18-12-17(28-3)9-10-20(18)29-4/h6-14H,5H2,1-4H3,(H,25,27)
InChIKeyJCTVSKUKYUJFMQ-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

6-(N-ethyl-3-methylanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358783
N-(2,4-dimethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357426
6-(diethylamino)-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109373337
2-N-(2,5-dimethoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112905325
N-(1,3-benzodioxol-5-yl)-6-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109359739
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
6-(N-ethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109355985
N-(2-ethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357420
4-N-(2,5-dimethoxyphenyl)-2-N-ethyl-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112931154
6-(N-ethyl-3-methylanilino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109351156
N-(1,3-benzodioxol-5-ylmethyl)-6-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109349378

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-6-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-6-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide (CID 109359227) is N-(2,5-dimethoxyphenyl)-6-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-6-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-6-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide is CCN(c1cccc(C)c1)c1cc(C(=O)Nc2cc(OC)ccc2OC)ncn1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-6-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is JCTVSKUKYUJFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-5-26(16-8-6-7-15(2)11-16)21-13-19(23-14-24-21)22(27)25-18-12-17(28-3)9-10-20(18)29-4/h6-14H,5H2,1-4H3,(H,25,27).
What are the key properties of N-(2,5-dimethoxyphenyl)-6-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide?
N-(2,5-dimethoxyphenyl)-6-(N-ethyl-3-methylanilino)pyrimidine-4-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-(2,5-dimethoxyphenyl)-6-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109359227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).