4-N-(4-chloro-2-methylphenyl)-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine

C20H21ClN4O — CID 112930020

IUPAC4-N-(4-chloro-2-methylphenyl)-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCCOc1ccc(Nc2nc(C)cc(Nc3ccc(Cl)cc3C)n2)cc1
InChIInChI=1S/C20H21ClN4O/c1-4-26-17-8-6-16(7-9-17)23-20-22-14(3)12-19(25-20)24-18-10-5-15(21)11-13(18)2/h5-12H,4H2,1-3H3,(H2,22,23,24,25)
InChIKeyRSFUTCUEGFAJAB-UHFFFAOYSA-N
MW368.87 g/mol
LogP5.63
Rot. Bonds6

About 4-N-(4-chloro-2-methylphenyl)-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine

4-N-(4-chloro-2-methylphenyl)-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112930020) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 4-N-(4-chloro-2-methylphenyl)-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-chloro-2-methylphenyl)-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112930020
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name4-N-(4-chloro-2-methylphenyl)-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCCOc1ccc(Nc2nc(C)cc(Nc3ccc(Cl)cc3C)n2)cc1
InChIInChI=1S/C20H21ClN4O/c1-4-26-17-8-6-16(7-9-17)23-20-22-14(3)12-19(25-20)24-18-10-5-15(21)11-13(18)2/h5-12H,4H2,1-3H3,(H2,22,23,24,25)
InChIKeyRSFUTCUEGFAJAB-UHFFFAOYSA-N
XLogP5.63
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.87
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,4-dimethylphenyl)-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112927977
4-N-(4-chloro-2-methylphenyl)-2-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930019
4-N-(3-chloro-2-methylphenyl)-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112929892
2-N-(2,5-dimethylphenyl)-4-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928127
2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930901
2-N-(4-chloro-2-methylphenyl)-4-N-(2,4-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930055
2-N-(4-ethoxyphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906938
2-N-(2,4-dimethoxyphenyl)-4-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930871
4-N-(4-chloro-2-methylphenyl)-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930022
2-N-(4-ethoxyphenyl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908592
4-N-butyl-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112908206
2-N-(4-chloro-2-methylphenyl)-4-N-(3,4-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930056

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chloro-2-methylphenyl)-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-chloro-2-methylphenyl)-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine (CID 112930020) is 4-N-(4-chloro-2-methylphenyl)-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-chloro-2-methylphenyl)-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-chloro-2-methylphenyl)-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine is CCOc1ccc(Nc2nc(C)cc(Nc3ccc(Cl)cc3C)n2)cc1.
What is the InChIKey of 4-N-(4-chloro-2-methylphenyl)-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is RSFUTCUEGFAJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-4-26-17-8-6-16(7-9-17)23-20-22-14(3)12-19(25-20)24-18-10-5-15(21)11-13(18)2/h5-12H,4H2,1-3H3,(H2,22,23,24,25).
What are the key properties of 4-N-(4-chloro-2-methylphenyl)-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine?
4-N-(4-chloro-2-methylphenyl)-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 368.87 g/mol, XLogP of 5.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chloro-2-methylphenyl)-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112930020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).