2-N-(3,4-dichlorophenyl)-4-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine

C19H18Cl2N4O — CID 112930806

IUPAC2-N-(3,4-dichlorophenyl)-4-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCCOc1ccccc1Nc1cc(C)nc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C19H18Cl2N4O/c1-3-26-17-7-5-4-6-16(17)24-18-10-12(2)22-19(25-18)23-13-8-9-14(20)15(21)11-13/h4-11H,3H2,1-2H3,(H2,22,23,24,25)
InChIKeyBKYPLHXXIYLHNB-UHFFFAOYSA-N
MW389.29 g/mol
LogP5.98
Rot. Bonds6

About 2-N-(3,4-dichlorophenyl)-4-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine

2-N-(3,4-dichlorophenyl)-4-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112930806) has the molecular formula C19H18Cl2N4O and a molecular weight of 389.29 g/mol. Its IUPAC name is 2-N-(3,4-dichlorophenyl)-4-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,4-dichlorophenyl)-4-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112930806
Molecular FormulaC19H18Cl2N4O
Molecular Weight389.29 g/mol
Exact Mass388.09
IUPAC Name2-N-(3,4-dichlorophenyl)-4-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCCOc1ccccc1Nc1cc(C)nc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C19H18Cl2N4O/c1-3-26-17-7-5-4-6-16(17)24-18-10-12(2)22-19(25-18)23-13-8-9-14(20)15(21)11-13/h4-11H,3H2,1-2H3,(H2,22,23,24,25)
InChIKeyBKYPLHXXIYLHNB-UHFFFAOYSA-N
XLogP5.98
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.29
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-ethoxyphenyl)-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927430
4-N-(2-ethoxyphenyl)-2-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928725
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930801
2-N-tert-butyl-4-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112924802
4-N-(4-chloro-2-methylphenyl)-2-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930019
4-N-(5-chloro-2-methylphenyl)-2-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112929955
4-N-(2-ethoxyphenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907340
4-[[2-(2-ethoxyanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112930861
2-N-(2-ethoxyphenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112930829
4-[[2-(2-ethoxyanilino)-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194356
4-N-(2-ethoxyphenyl)-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908782
4-N-(3-chloro-2-methylphenyl)-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112929892

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dichlorophenyl)-4-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3,4-dichlorophenyl)-4-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine (CID 112930806) is 2-N-(3,4-dichlorophenyl)-4-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3,4-dichlorophenyl)-4-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3,4-dichlorophenyl)-4-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine is CCOc1ccccc1Nc1cc(C)nc(Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-N-(3,4-dichlorophenyl)-4-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is BKYPLHXXIYLHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O/c1-3-26-17-7-5-4-6-16(17)24-18-10-12(2)22-19(25-18)23-13-8-9-14(20)15(21)11-13/h4-11H,3H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 2-N-(3,4-dichlorophenyl)-4-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine?
2-N-(3,4-dichlorophenyl)-4-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 389.29 g/mol, XLogP of 5.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dichlorophenyl)-4-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112930806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).