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

C20H18F2N4 — CID 112873908

IUPACN-(2,6-difluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine
SMILESCc1nc(Nc2c(F)cccc2F)cc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C20H18F2N4/c1-13-23-18(25-20-16(21)7-4-8-17(20)22)11-19(24-13)26-10-9-14-5-2-3-6-15(14)12-26/h2-8,11H,9-10,12H2,1H3,(H,23,24,25)
InChIKeySIRNQEIVNWDFDF-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.37
Rot. Bonds3

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

N-(2,6-difluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine (PubChem CID 112873908) has the molecular formula C20H18F2N4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine
PubChem CID112873908
Molecular FormulaC20H18F2N4
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-(2,6-difluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine
SMILESCc1nc(Nc2c(F)cccc2F)cc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C20H18F2N4/c1-13-23-18(25-20-16(21)7-4-8-17(20)22)11-19(24-13)26-10-9-14-5-2-3-6-15(14)12-26/h2-8,11H,9-10,12H2,1H3,(H,23,24,25)
InChIKeySIRNQEIVNWDFDF-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,6-difluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine with MolForge

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Related Compounds

Revaprazan
CID 204104
4-(4-Methylpiperidin-1-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815440
N2,N4-dibenzyl-6-methyl-pyrimidine-2,4-diamine
CID 697225
4-(4-Methyl-1-piperazinyl)-2-phenylquinazoline
CID 454717
Revaprazan Hydrochloride
CID 204103
N~2~-benzyl-N~4~-(3-fluorophenyl)-6-methyl-2,4-pyrimidinediamine
CID 697239
N~2~-benzyl-6-methyl-N~4~-(4-methylphenyl)-2,4-pyrimidinediamine
CID 721060
N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 950649
6-(Piperazin-1-yl)-3,5-diazatricyclo[8.4.0.0^{2,7}]tetradeca-1(14),2,4,6,10,12-hexaen-4-amine
CID 25071940
6-(4-Methylpiperazin-1-yl)-3,5-diazatricyclo[8.4.0.0^{2,7}]tetradeca-1(14),2,4,6,10,12-hexaen-4-amine
CID 25128822
14-Fluoro-6-(piperazin-1-yl)-3,5-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 25128824
5-(4-((3,5-Difluorobenzyl)amino)phenyl)-6-ethylpyrimidine-2,4-diamine
CID 6914633

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine?
The IUPAC name of N-(2,6-difluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine (CID 112873908) is N-(2,6-difluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2,6-difluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(2,6-difluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine is Cc1nc(Nc2c(F)cccc2F)cc(N2CCc3ccccc3C2)n1.
What is the InChIKey of N-(2,6-difluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine?
The InChIKey is SIRNQEIVNWDFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4/c1-13-23-18(25-20-16(21)7-4-8-17(20)22)11-19(24-13)26-10-9-14-5-2-3-6-15(14)12-26/h2-8,11H,9-10,12H2,1H3,(H,23,24,25).
What are the key properties of N-(2,6-difluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine?
N-(2,6-difluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine has a molecular weight of 352.39 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 112873908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).