N-(2,4-difluorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine

C20H18F2N4 — CID 112927953

IUPACN-(2,4-difluorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine
SMILESCc1cc(Nc2ccc(F)cc2F)nc(N2CCCc3ccccc32)n1
InChIInChI=1S/C20H18F2N4/c1-13-11-19(24-17-9-8-15(21)12-16(17)22)25-20(23-13)26-10-4-6-14-5-2-3-7-18(14)26/h2-3,5,7-9,11-12H,4,6,10H2,1H3,(H,23,24,25)
InChIKeyUWOQFPBKLJSXHU-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.89
Rot. Bonds3

About N-(2,4-difluorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine

N-(2,4-difluorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine (PubChem CID 112927953) has the molecular formula C20H18F2N4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine
PubChem CID112927953
Molecular FormulaC20H18F2N4
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-(2,4-difluorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine
SMILESCc1cc(Nc2ccc(F)cc2F)nc(N2CCCc3ccccc32)n1
InChIInChI=1S/C20H18F2N4/c1-13-11-19(24-17-9-8-15(21)12-16(17)22)25-20(23-13)26-10-4-6-14-5-2-3-7-18(14)26/h2-3,5,7-9,11-12H,4,6,10H2,1H3,(H,23,24,25)
InChIKeyUWOQFPBKLJSXHU-UHFFFAOYSA-N
XLogP4.89
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine
CID 112924885
N-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine
CID 112927774
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine
CID 112962871
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109335535
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112913500
N-(2,4-difluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine
CID 7424266
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine
CID 112918466
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-5-amine
CID 112962943
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328561
4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride
CID 2730124
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-fluorophenyl)-6-methylpyrimidin-4-amine
CID 112923595
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,5-dimethylphenyl)-1,2,4-triazin-5-amine
CID 112962856

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-(2,4-difluorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine (CID 112927953) is N-(2,4-difluorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine is Cc1cc(Nc2ccc(F)cc2F)nc(N2CCCc3ccccc32)n1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine?
The InChIKey is UWOQFPBKLJSXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4/c1-13-11-19(24-17-9-8-15(21)12-16(17)22)25-20(23-13)26-10-4-6-14-5-2-3-7-18(14)26/h2-3,5,7-9,11-12H,4,6,10H2,1H3,(H,23,24,25).
What are the key properties of N-(2,4-difluorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine?
N-(2,4-difluorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine has a molecular weight of 352.39 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 112927953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).