2-N-(2,3-dichlorophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine

C19H18Cl2N4O — CID 112895451

IUPAC2-N-(2,3-dichlorophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(CCNc2ccnc(Nc3cccc(Cl)c3Cl)n2)cc1
InChIInChI=1S/C19H18Cl2N4O/c1-26-14-7-5-13(6-8-14)9-11-22-17-10-12-23-19(25-17)24-16-4-2-3-15(20)18(16)21/h2-8,10,12H,9,11H2,1H3,(H2,22,23,24,25)
InChIKeyBCXAXZGMIIOTCE-UHFFFAOYSA-N
MW389.29 g/mol
LogP5.19
Rot. Bonds7

About 2-N-(2,3-dichlorophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine

2-N-(2,3-dichlorophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 112895451) has the molecular formula C19H18Cl2N4O and a molecular weight of 389.29 g/mol. Its IUPAC name is 2-N-(2,3-dichlorophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,3-dichlorophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
PubChem CID112895451
Molecular FormulaC19H18Cl2N4O
Molecular Weight389.29 g/mol
Exact Mass388.09
IUPAC Name2-N-(2,3-dichlorophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(CCNc2ccnc(Nc3cccc(Cl)c3Cl)n2)cc1
InChIInChI=1S/C19H18Cl2N4O/c1-26-14-7-5-13(6-8-14)9-11-22-17-10-12-23-19(25-17)24-16-4-2-3-15(20)18(16)21/h2-8,10,12H,9,11H2,1H3,(H2,22,23,24,25)
InChIKeyBCXAXZGMIIOTCE-UHFFFAOYSA-N
XLogP5.19
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.29
LogP ≤ 55.19
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
2-N-[(2-chlorophenyl)methyl]-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112891782
2,3-dichloro-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 54797935
2-N-(4-chloro-2-methylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895406
4-N-[(2-chlorophenyl)methyl]-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112891650
2-N-(3-bromophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895439
2-N-(3-fluorophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895437
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895126
2-N-isoquinolin-1-yl-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 117083919
2-N-(3-chloro-2-methylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921332
2-N-(2,3-dichlorophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904571
4-N-[2-(4-chlorophenyl)ethyl]-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112897086

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dichlorophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,3-dichlorophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine (CID 112895451) is 2-N-(2,3-dichlorophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,3-dichlorophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,3-dichlorophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine is COc1ccc(CCNc2ccnc(Nc3cccc(Cl)c3Cl)n2)cc1.
What is the InChIKey of 2-N-(2,3-dichlorophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is BCXAXZGMIIOTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O/c1-26-14-7-5-13(6-8-14)9-11-22-17-10-12-23-19(25-17)24-16-4-2-3-15(20)18(16)21/h2-8,10,12H,9,11H2,1H3,(H2,22,23,24,25).
What are the key properties of 2-N-(2,3-dichlorophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine?
2-N-(2,3-dichlorophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 389.29 g/mol, XLogP of 5.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dichlorophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112895451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).