N-[2,4-dimethoxy-3-(4-methoxyphenyl)phenyl]pyrimidin-2-amine

C19H19N3O3 — CID 174518362

IUPACN-[2,4-dimethoxy-3-(4-methoxyphenyl)phenyl]pyrimidin-2-amine
SMILESCOc1ccc(-c2c(OC)ccc(Nc3ncccn3)c2OC)cc1
InChIInChI=1S/C19H19N3O3/c1-23-14-7-5-13(6-8-14)17-16(24-2)10-9-15(18(17)25-3)22-19-20-11-4-12-21-19/h4-12H,1-3H3,(H,20,21,22)
InChIKeyIAFMICPPHJIUGS-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.91
Rot. Bonds6

About N-[2,4-dimethoxy-3-(4-methoxyphenyl)phenyl]pyrimidin-2-amine

N-[2,4-dimethoxy-3-(4-methoxyphenyl)phenyl]pyrimidin-2-amine (PubChem CID 174518362) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[2,4-dimethoxy-3-(4-methoxyphenyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2,4-dimethoxy-3-(4-methoxyphenyl)phenyl]pyrimidin-2-amine
PubChem CID174518362
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[2,4-dimethoxy-3-(4-methoxyphenyl)phenyl]pyrimidin-2-amine
SMILESCOc1ccc(-c2c(OC)ccc(Nc3ncccn3)c2OC)cc1
InChIInChI=1S/C19H19N3O3/c1-23-14-7-5-13(6-8-14)17-16(24-2)10-9-15(18(17)25-3)22-19-20-11-4-12-21-19/h4-12H,1-3H3,(H,20,21,22)
InChIKeyIAFMICPPHJIUGS-UHFFFAOYSA-N
XLogP3.91
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2,3-dimethoxyphenyl)-2-ethylsulfanylphenyl]pyrimidin-2-amine
CID 68886927
2,6-dimethoxy-1-(4-methoxyphenyl)naphthalene
CID 139203574
4-methoxy-N-[2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide
CID 15293859
N-(6-bromo-5-methoxy-2-pyridinyl)pyrimidin-2-amine
CID 58053387
9-(2-methoxyphenyl)-10-(4-methoxyphenyl)anthracene
CID 11523963
4-N-(2,4-dimethoxyphenyl)-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112905061
2-N-(2,5-dimethoxyphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112893230
4-N-(2,5-dimethoxyphenyl)-2-N-(2,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 112902472
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
2-(4-methoxyphenyl)-N-phenylpyridin-3-amine
CID 53355329
6,7-dimethoxy-1-(4-methoxyphenyl)isoquinoline
CID 50923051
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112904397

Frequently Asked Questions

What is the IUPAC name of N-[2,4-dimethoxy-3-(4-methoxyphenyl)phenyl]pyrimidin-2-amine?
The IUPAC name of N-[2,4-dimethoxy-3-(4-methoxyphenyl)phenyl]pyrimidin-2-amine (CID 174518362) is N-[2,4-dimethoxy-3-(4-methoxyphenyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for N-[2,4-dimethoxy-3-(4-methoxyphenyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for N-[2,4-dimethoxy-3-(4-methoxyphenyl)phenyl]pyrimidin-2-amine is COc1ccc(-c2c(OC)ccc(Nc3ncccn3)c2OC)cc1.
What is the InChIKey of N-[2,4-dimethoxy-3-(4-methoxyphenyl)phenyl]pyrimidin-2-amine?
The InChIKey is IAFMICPPHJIUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-23-14-7-5-13(6-8-14)17-16(24-2)10-9-15(18(17)25-3)22-19-20-11-4-12-21-19/h4-12H,1-3H3,(H,20,21,22).
What are the key properties of N-[2,4-dimethoxy-3-(4-methoxyphenyl)phenyl]pyrimidin-2-amine?
N-[2,4-dimethoxy-3-(4-methoxyphenyl)phenyl]pyrimidin-2-amine has a molecular weight of 337.38 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dimethoxy-3-(4-methoxyphenyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 174518362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).