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

C20H15F2N5 — CID 112932073

IUPAC4-N-(2,4-difluorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(F)cc2F)nc(Nc2cccc3cccnc23)n1
InChIInChI=1S/C20H15F2N5/c1-12-10-18(25-16-8-7-14(21)11-15(16)22)27-20(24-12)26-17-6-2-4-13-5-3-9-23-19(13)17/h2-11H,1H3,(H2,24,25,26,27)
InChIKeyXXROYYKSNMCQJC-UHFFFAOYSA-N
MW363.37 g/mol
LogP5.10
Rot. Bonds4

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

4-N-(2,4-difluorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine (PubChem CID 112932073) has the molecular formula C20H15F2N5 and a molecular weight of 363.37 g/mol. Its IUPAC name is 4-N-(2,4-difluorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,4-difluorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
PubChem CID112932073
Molecular FormulaC20H15F2N5
Molecular Weight363.37 g/mol
Exact Mass363.13
IUPAC Name4-N-(2,4-difluorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(F)cc2F)nc(Nc2cccc3cccnc23)n1
InChIInChI=1S/C20H15F2N5/c1-12-10-18(25-16-8-7-14(21)11-15(16)22)27-20(24-12)26-17-6-2-4-13-5-3-9-23-19(13)17/h2-11H,1H3,(H2,24,25,26,27)
InChIKeyXXROYYKSNMCQJC-UHFFFAOYSA-N
XLogP5.10
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.37
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-fluorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112931870
5-N-(2,4-difluorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112969359
6-methyl-2-N-quinolin-8-yl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112931278
2-N-(2,5-dichlorophenyl)-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112932059
N-(2-hydrazinyl-6-methylpyrimidin-4-yl)quinolin-8-amine
CID 80926650
2-N-(2,4-difluorophenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112931279
6-methyl-4-N-(2-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112931046
2-N-(2,4-difluorophenyl)-4-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928401
2-N-(3-chlorophenyl)-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112929778
4-N-(2,4-difluorophenyl)-6-methyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112931073
4-N-(3-chlorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112929729
2-N-(3-bromophenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112931953

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-difluorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,4-difluorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine (CID 112932073) is 4-N-(2,4-difluorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,4-difluorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,4-difluorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine is Cc1cc(Nc2ccc(F)cc2F)nc(Nc2cccc3cccnc23)n1.
What is the InChIKey of 4-N-(2,4-difluorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine?
The InChIKey is XXROYYKSNMCQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5/c1-12-10-18(25-16-8-7-14(21)11-15(16)22)27-20(24-12)26-17-6-2-4-13-5-3-9-23-19(13)17/h2-11H,1H3,(H2,24,25,26,27).
What are the key properties of 4-N-(2,4-difluorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine?
4-N-(2,4-difluorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine has a molecular weight of 363.37 g/mol, XLogP of 5.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-difluorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112932073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).