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

C20H21ClN4O — CID 112897086

IUPAC4-N-[2-(4-chlorophenyl)ethyl]-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine
SMILESCCOc1ccccc1Nc1nccc(NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H21ClN4O/c1-2-26-18-6-4-3-5-17(18)24-20-23-14-12-19(25-20)22-13-11-15-7-9-16(21)10-8-15/h3-10,12,14H,2,11,13H2,1H3,(H2,22,23,24,25)
InChIKeyQLZRCIWOLQYDIC-UHFFFAOYSA-N
MW368.87 g/mol
LogP4.93
Rot. Bonds8

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

4-N-[2-(4-chlorophenyl)ethyl]-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112897086) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 4-N-[2-(4-chlorophenyl)ethyl]-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(4-chlorophenyl)ethyl]-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine
PubChem CID112897086
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name4-N-[2-(4-chlorophenyl)ethyl]-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine
SMILESCCOc1ccccc1Nc1nccc(NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H21ClN4O/c1-2-26-18-6-4-3-5-17(18)24-20-23-14-12-19(25-20)22-13-11-15-7-9-16(21)10-8-15/h3-10,12,14H,2,11,13H2,1H3,(H2,22,23,24,25)
InChIKeyQLZRCIWOLQYDIC-UHFFFAOYSA-N
XLogP4.93
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2-ethoxyphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895416
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(2-ethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112956258
2-N-(2-ethoxyphenyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112900381
4-N-(4-chloro-2-methylphenyl)-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112903988
2-N-(2-ethoxyphenyl)-4-N-(4-ethylphenyl)pyrimidine-2,4-diamine
CID 112902830
2-N-(2,3-dichlorophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895451
ethyl 2-[[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]amino]benzoate
CID 112897191
4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-ethylphenyl)pyrimidine-2,4-diamine
CID 112901390
2-N-(4-chloro-2-methylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895406
4-N-[2-(4-chlorophenyl)ethyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 112897068
3-N-[(4-chlorophenyl)methyl]-5-N-(2-ethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112950686
2-N-(2-ethoxyphenyl)-4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112904866

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-chlorophenyl)ethyl]-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(4-chlorophenyl)ethyl]-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine (CID 112897086) is 4-N-[2-(4-chlorophenyl)ethyl]-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(4-chlorophenyl)ethyl]-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(4-chlorophenyl)ethyl]-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine is CCOc1ccccc1Nc1nccc(NCCc2ccc(Cl)cc2)n1.
What is the InChIKey of 4-N-[2-(4-chlorophenyl)ethyl]-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is QLZRCIWOLQYDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-2-26-18-6-4-3-5-17(18)24-20-23-14-12-19(25-20)22-13-11-15-7-9-16(21)10-8-15/h3-10,12,14H,2,11,13H2,1H3,(H2,22,23,24,25).
What are the key properties of 4-N-[2-(4-chlorophenyl)ethyl]-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine?
4-N-[2-(4-chlorophenyl)ethyl]-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 368.87 g/mol, XLogP of 4.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-chlorophenyl)ethyl]-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112897086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).