N-(4-methoxyphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide

C20H20N4O2 — CID 112848508

IUPACN-(4-methoxyphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(N(C)c3ccccc3)nc(C)n2)cc1
InChIInChI=1S/C20H20N4O2/c1-14-21-18(20(25)23-15-9-11-17(26-3)12-10-15)13-19(22-14)24(2)16-7-5-4-6-8-16/h4-13H,1-3H3,(H,23,25)
InChIKeyLWSVRJXVFGHZAZ-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.81
Rot. Bonds5

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

N-(4-methoxyphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide (PubChem CID 112848508) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide
PubChem CID112848508
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-(4-methoxyphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(N(C)c3ccccc3)nc(C)n2)cc1
InChIInChI=1S/C20H20N4O2/c1-14-21-18(20(25)23-15-9-11-17(26-3)12-10-15)13-19(22-14)24(2)16-7-5-4-6-8-16/h4-13H,1-3H3,(H,23,25)
InChIKeyLWSVRJXVFGHZAZ-UHFFFAOYSA-N
XLogP3.81
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 112848502
N-(2-bromophenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 112848531
N-(2-ethylphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 112848484
2-methyl-6-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 112848488
N-[4-(dimethylamino)phenyl]-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850558
6-(N-ethylanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849476
N-(4-methoxyphenyl)-5-(N-methylanilino)pyridine-3-carboxamide
CID 109242318
6-(dipropylamino)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112847511
N-(3-methoxyphenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 109356373
5-(N-ethylanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109291797
6-[benzyl(methyl)amino]-N-(4-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369386
6-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369404

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide (CID 112848508) is N-(4-methoxyphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide is COc1ccc(NC(=O)c2cc(N(C)c3ccccc3)nc(C)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is LWSVRJXVFGHZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14-21-18(20(25)23-15-9-11-17(26-3)12-10-15)13-19(22-14)24(2)16-7-5-4-6-8-16/h4-13H,1-3H3,(H,23,25).
What are the key properties of N-(4-methoxyphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide?
N-(4-methoxyphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 112848508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).