2-N-(2-ethoxyphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine

C21H24N4O2 — CID 112895416

IUPAC2-N-(2-ethoxyphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
SMILESCCOc1ccccc1Nc1nccc(NCCc2ccc(OC)cc2)n1
InChIInChI=1S/C21H24N4O2/c1-3-27-19-7-5-4-6-18(19)24-21-23-15-13-20(25-21)22-14-12-16-8-10-17(26-2)11-9-16/h4-11,13,15H,3,12,14H2,1-2H3,(H2,22,23,24,25)
InChIKeyJRUMKSJYWWGCEE-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.28
Rot. Bonds9

About 2-N-(2-ethoxyphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine

2-N-(2-ethoxyphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 112895416) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-N-(2-ethoxyphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-ethoxyphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
PubChem CID112895416
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-N-(2-ethoxyphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
SMILESCCOc1ccccc1Nc1nccc(NCCc2ccc(OC)cc2)n1
InChIInChI=1S/C21H24N4O2/c1-3-27-19-7-5-4-6-18(19)24-21-23-15-13-20(25-21)22-14-12-16-8-10-17(26-2)11-9-16/h4-11,13,15H,3,12,14H2,1-2H3,(H2,22,23,24,25)
InChIKeyJRUMKSJYWWGCEE-UHFFFAOYSA-N
XLogP4.28
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[2-(4-chlorophenyl)ethyl]-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112897086
4-N-(2-ethoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892594
5-N-(2-ethoxyphenyl)-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954508
2-N-(2-ethoxyphenyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112900381
2-N-(2,3-dichlorophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895451
2-N-isoquinolin-1-yl-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 117083919
2-N-(2-ethoxyphenyl)-4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112904866
2-N-(4-ethoxyphenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112894966
2-N-(2-ethoxyphenyl)-4-N-(4-ethylphenyl)pyrimidine-2,4-diamine
CID 112902830
4-N-butyl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112882836
2-N-(4-chloro-2-methylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895406
2-N-(3-bromophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895439

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethoxyphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-ethoxyphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine (CID 112895416) is 2-N-(2-ethoxyphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-ethoxyphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-ethoxyphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine is CCOc1ccccc1Nc1nccc(NCCc2ccc(OC)cc2)n1.
What is the InChIKey of 2-N-(2-ethoxyphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is JRUMKSJYWWGCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-3-27-19-7-5-4-6-18(19)24-21-23-15-13-20(25-21)22-14-12-16-8-10-17(26-2)11-9-16/h4-11,13,15H,3,12,14H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 2-N-(2-ethoxyphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine?
2-N-(2-ethoxyphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 364.45 g/mol, XLogP of 4.28, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethoxyphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112895416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).