2-N-(2,5-dichlorophenyl)-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine

C20H15Cl2N5 — CID 112932059

IUPAC2-N-(2,5-dichlorophenyl)-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cccc3cccnc23)nc(Nc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C20H15Cl2N5/c1-12-10-18(25-16-6-2-4-13-5-3-9-23-19(13)16)27-20(24-12)26-17-11-14(21)7-8-15(17)22/h2-11H,1H3,(H2,24,25,26,27)
InChIKeyVBOMZTPTRCUTDA-UHFFFAOYSA-N
MW396.28 g/mol
LogP6.13
Rot. Bonds4

About 2-N-(2,5-dichlorophenyl)-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine

2-N-(2,5-dichlorophenyl)-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine (PubChem CID 112932059) has the molecular formula C20H15Cl2N5 and a molecular weight of 396.28 g/mol. Its IUPAC name is 2-N-(2,5-dichlorophenyl)-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,5-dichlorophenyl)-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine
PubChem CID112932059
Molecular FormulaC20H15Cl2N5
Molecular Weight396.28 g/mol
Exact Mass395.07
IUPAC Name2-N-(2,5-dichlorophenyl)-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cccc3cccnc23)nc(Nc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C20H15Cl2N5/c1-12-10-18(25-16-6-2-4-13-5-3-9-23-19(13)16)27-20(24-12)26-17-11-14(21)7-8-15(17)22/h2-11H,1H3,(H2,24,25,26,27)
InChIKeyVBOMZTPTRCUTDA-UHFFFAOYSA-N
XLogP6.13
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.28
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(3-chlorophenyl)-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112929778
4-N-(3-chlorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112929729
2-N-(2,5-dichlorophenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112906494
4-N-[(4-chlorophenyl)methyl]-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112918050
4-N-(2,4-difluorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112932073
N-(2-hydrazinyl-6-methylpyrimidin-4-yl)quinolin-8-amine
CID 80926650
6-methyl-2-N-quinolin-8-yl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112931278
6-methyl-4-N-(2-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112931046
2-[[2-(2,5-dichloroanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112932214
4-N-(3-fluorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112931870
6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112931098
6-methyl-2-N-(3-methylbutyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112925343

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,5-dichlorophenyl)-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,5-dichlorophenyl)-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine (CID 112932059) is 2-N-(2,5-dichlorophenyl)-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,5-dichlorophenyl)-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,5-dichlorophenyl)-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine is Cc1cc(Nc2cccc3cccnc23)nc(Nc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 2-N-(2,5-dichlorophenyl)-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine?
The InChIKey is VBOMZTPTRCUTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N5/c1-12-10-18(25-16-6-2-4-13-5-3-9-23-19(13)16)27-20(24-12)26-17-11-14(21)7-8-15(17)22/h2-11H,1H3,(H2,24,25,26,27).
What are the key properties of 2-N-(2,5-dichlorophenyl)-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine?
2-N-(2,5-dichlorophenyl)-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine has a molecular weight of 396.28 g/mol, XLogP of 6.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,5-dichlorophenyl)-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112932059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).