N-(2,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine

C20H21N3O3 — CID 20899006

IUPACN-(2,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
SMILESCOc1ccc(-c2cc(Nc3ccc(OC)cc3OC)nc(C)n2)cc1
InChIInChI=1S/C20H21N3O3/c1-13-21-18(14-5-7-15(24-2)8-6-14)12-20(22-13)23-17-10-9-16(25-3)11-19(17)26-4/h5-12H,1-4H3,(H,21,22,23)
InChIKeyREAVKKIPLRTUIK-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.22
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine

N-(2,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine (PubChem CID 20899006) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
PubChem CID20899006
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(2,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
SMILESCOc1ccc(-c2cc(Nc3ccc(OC)cc3OC)nc(C)n2)cc1
InChIInChI=1S/C20H21N3O3/c1-13-21-18(14-5-7-15(24-2)8-6-14)12-20(22-13)23-17-10-9-16(25-3)11-19(17)26-4/h5-12H,1-4H3,(H,21,22,23)
InChIKeyREAVKKIPLRTUIK-UHFFFAOYSA-N
XLogP4.22
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2,4-dimethoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876906
6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112867967
6-N-(2,4-dimethoxyphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112878650
2-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]-4-methylphenol
CID 20898994
6-N-(2,4-dimethoxyphenyl)-2-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112878647
4-N-(2,4-dimethoxyphenyl)-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877821
N-[4-[[6-(2,4-dimethoxyanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112878632
4-N-(2,4-dimethoxyphenyl)-6-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874245
N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(4-methylphenyl)pyrimidin-4-amine;hydrochloride
CID 52986012
6-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849211
6-(4-methoxyphenyl)-2-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 82191981
N-(2-cyanophenyl)-6-(2,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850745

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine (CID 20899006) is N-(2,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine is COc1ccc(-c2cc(Nc3ccc(OC)cc3OC)nc(C)n2)cc1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine?
The InChIKey is REAVKKIPLRTUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-21-18(14-5-7-15(24-2)8-6-14)12-20(22-13)23-17-10-9-16(25-3)11-19(17)26-4/h5-12H,1-4H3,(H,21,22,23).
What are the key properties of N-(2,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine?
N-(2,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine has a molecular weight of 351.41 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 20899006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).