4-N-(3-chlorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine

C20H16ClN5 — CID 112929729

IUPAC4-N-(3-chlorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cccc(Cl)c2)nc(Nc2cccc3cccnc23)n1
InChIInChI=1S/C20H16ClN5/c1-13-11-18(24-16-8-3-7-15(21)12-16)26-20(23-13)25-17-9-2-5-14-6-4-10-22-19(14)17/h2-12H,1H3,(H2,23,24,25,26)
InChIKeyRKVYMFMIVIFSQR-UHFFFAOYSA-N
MW361.84 g/mol
LogP5.47
Rot. Bonds4

About 4-N-(3-chlorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine

4-N-(3-chlorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine (PubChem CID 112929729) has the molecular formula C20H16ClN5 and a molecular weight of 361.84 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
PubChem CID112929729
Molecular FormulaC20H16ClN5
Molecular Weight361.84 g/mol
Exact Mass361.11
IUPAC Name4-N-(3-chlorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cccc(Cl)c2)nc(Nc2cccc3cccnc23)n1
InChIInChI=1S/C20H16ClN5/c1-13-11-18(24-16-8-3-7-15(21)12-16)26-20(23-13)25-17-9-2-5-14-6-4-10-22-19(14)17/h2-12H,1H3,(H2,23,24,25,26)
InChIKeyRKVYMFMIVIFSQR-UHFFFAOYSA-N
XLogP5.47
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.84
LogP ≤ 55.47
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-fluorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112931870
2-N-(2,5-dichlorophenyl)-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112932059
4-N-[(4-chlorophenyl)methyl]-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112918050
6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112931098
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
4-N-(2,4-difluorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112932073
6-methyl-4-N-(2-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112931046
4-N-(2-bromophenyl)-2-N-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929774
4-N-(3-chlorophenyl)-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919326
4-N-(3-chlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929739

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-chlorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine (CID 112929729) is 4-N-(3-chlorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-chlorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-chlorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine is Cc1cc(Nc2cccc(Cl)c2)nc(Nc2cccc3cccnc23)n1.
What is the InChIKey of 4-N-(3-chlorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine?
The InChIKey is RKVYMFMIVIFSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5/c1-13-11-18(24-16-8-3-7-15(21)12-16)26-20(23-13)25-17-9-2-5-14-6-4-10-22-19(14)17/h2-12H,1H3,(H2,23,24,25,26).
What are the key properties of 4-N-(3-chlorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine?
4-N-(3-chlorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine has a molecular weight of 361.84 g/mol, XLogP of 5.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112929729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).