N-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine

C18H25N5 — CID 112913021

IUPACN-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1cc(N2CCCc3ccccc32)nc(NCCN(C)C)n1
InChIInChI=1S/C18H25N5/c1-14-13-17(21-18(20-14)19-10-12-22(2)3)23-11-6-8-15-7-4-5-9-16(15)23/h4-5,7,9,13H,6,8,10-12H2,1-3H3,(H,19,20,21)
InChIKeyASJLEKUZICEQGW-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.84
Rot. Bonds5

About N-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine

N-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 112913021) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID112913021
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC NameN-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1cc(N2CCCc3ccccc32)nc(NCCN(C)C)n1
InChIInChI=1S/C18H25N5/c1-14-13-17(21-18(20-14)19-10-12-22(2)3)23-11-6-8-15-7-4-5-9-16(15)23/h4-5,7,9,13H,6,8,10-12H2,1-3H3,(H,19,20,21)
InChIKeyASJLEKUZICEQGW-UHFFFAOYSA-N
XLogP2.84
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-amine
CID 112922676
N-[2-(cyclohexen-1-yl)ethyl]-4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-amine
CID 112911256
4-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidin-2-amine
CID 112921049
N-butyl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 112908361
4-(2,3-dihydroindol-1-yl)-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine
CID 112925270
N-[4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112887804
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112913500
N-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112887033
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-2-amine
CID 112927864
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-ethoxyphenyl)-6-methylpyrimidin-2-amine
CID 112927865
N-butan-2-yl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 112909128
4-[[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112927898

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine (CID 112913021) is N-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine is Cc1cc(N2CCCc3ccccc32)nc(NCCN(C)C)n1.
What is the InChIKey of N-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is ASJLEKUZICEQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-14-13-17(21-18(20-14)19-10-12-22(2)3)23-11-6-8-15-7-4-5-9-16(15)23/h4-5,7,9,13H,6,8,10-12H2,1-3H3,(H,19,20,21).
What are the key properties of N-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine?
N-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 311.43 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 112913021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).