N-(2-ethoxyphenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide

C20H20N4O2 — CID 109356224

IUPACN-(2-ethoxyphenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(Nc2ccc(C)cc2)ncn1
InChIInChI=1S/C20H20N4O2/c1-3-26-18-7-5-4-6-16(18)24-20(25)17-12-19(22-13-21-17)23-15-10-8-14(2)9-11-15/h4-13H,3H2,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyVKJDITPWSYCMKM-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.18
Rot. Bonds6

About N-(2-ethoxyphenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide

N-(2-ethoxyphenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109356224) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide
PubChem CID109356224
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-(2-ethoxyphenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(Nc2ccc(C)cc2)ncn1
InChIInChI=1S/C20H20N4O2/c1-3-26-18-7-5-4-6-16(18)24-20(25)17-12-19(22-13-21-17)23-15-10-8-14(2)9-11-15/h4-13H,3H2,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyVKJDITPWSYCMKM-UHFFFAOYSA-N
XLogP4.18
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-ethoxyanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358001
N-(2,4-dimethylphenyl)-6-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109356805
6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355799
N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109359004
N-(2,5-dimethylphenyl)-6-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109356887
ethyl 2-[[6-(4-fluoroanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109357982
N-(2-cyanophenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109356261
6-(4-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358673
6-(4-ethoxyanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109357593
N-(2-ethoxyphenyl)-4-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46327267
6-[4-(dimethylamino)anilino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358760
6-(4-ethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356279

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide (CID 109356224) is N-(2-ethoxyphenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide is CCOc1ccccc1NC(=O)c1cc(Nc2ccc(C)cc2)ncn1.
What is the InChIKey of N-(2-ethoxyphenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is VKJDITPWSYCMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-3-26-18-7-5-4-6-16(18)24-20(25)17-12-19(22-13-21-17)23-15-10-8-14(2)9-11-15/h4-13H,3H2,1-2H3,(H,24,25)(H,21,22,23).
What are the key properties of N-(2-ethoxyphenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide?
N-(2-ethoxyphenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109356224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).