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

C21H28N4 — CID 112924885

IUPACN-cycloheptyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCCCCC2)nc(N2CCCc3ccccc32)n1
InChIInChI=1S/C21H28N4/c1-16-15-20(23-18-11-4-2-3-5-12-18)24-21(22-16)25-14-8-10-17-9-6-7-13-19(17)25/h6-7,9,13,15,18H,2-5,8,10-12,14H2,1H3,(H,22,23,24)
InChIKeyLSANBQSGWWBHDU-UHFFFAOYSA-N
MW336.48 g/mol
LogP5.00
Rot. Bonds3

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

N-cycloheptyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine (PubChem CID 112924885) has the molecular formula C21H28N4 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-cycloheptyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cycloheptyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine
PubChem CID112924885
Molecular FormulaC21H28N4
Molecular Weight336.48 g/mol
Exact Mass336.23
IUPAC NameN-cycloheptyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCCCCC2)nc(N2CCCc3ccccc32)n1
InChIInChI=1S/C21H28N4/c1-16-15-20(23-18-11-4-2-3-5-12-18)24-21(22-16)25-14-8-10-17-9-6-7-13-19(17)25/h6-7,9,13,15,18H,2-5,8,10-12,14H2,1H3,(H,22,23,24)
InChIKeyLSANBQSGWWBHDU-UHFFFAOYSA-N
XLogP5.00
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine
CID 112876028
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-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine
CID 112927953
N-cycloheptyl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 112924966
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine
CID 112918466
N-cyclopentyl-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112941511
N-cyclopropyl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 112854768
N-cycloheptyl-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912292
N-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine
CID 112927774
N-cyclopentyl-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine
CID 112941703
2-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319150
N-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
CID 112902442

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-cycloheptyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine (CID 112924885) is N-cycloheptyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-cycloheptyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-cycloheptyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine is Cc1cc(NC2CCCCCC2)nc(N2CCCc3ccccc32)n1.
What is the InChIKey of N-cycloheptyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine?
The InChIKey is LSANBQSGWWBHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4/c1-16-15-20(23-18-11-4-2-3-5-12-18)24-21(22-16)25-14-8-10-17-9-6-7-13-19(17)25/h6-7,9,13,15,18H,2-5,8,10-12,14H2,1H3,(H,22,23,24).
What are the key properties of N-cycloheptyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine?
N-cycloheptyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine has a molecular weight of 336.48 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 112924885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).