N-butyl-6-(3,4-dihydro-2H-quinolin-1-yl)-N,2-dimethylpyrimidin-4-amine

C19H26N4 — CID 112876355

IUPACN-butyl-6-(3,4-dihydro-2H-quinolin-1-yl)-N,2-dimethylpyrimidin-4-amine
SMILESCCCCN(C)c1cc(N2CCCc3ccccc32)nc(C)n1
InChIInChI=1S/C19H26N4/c1-4-5-12-22(3)18-14-19(21-15(2)20-18)23-13-8-10-16-9-6-7-11-17(16)23/h6-7,9,11,14H,4-5,8,10,12-13H2,1-3H3
InChIKeyHXWSUDWUEKVAKH-UHFFFAOYSA-N
MW310.45 g/mol
LogP4.11
Rot. Bonds5

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

N-butyl-6-(3,4-dihydro-2H-quinolin-1-yl)-N,2-dimethylpyrimidin-4-amine (PubChem CID 112876355) has the molecular formula C19H26N4 and a molecular weight of 310.45 g/mol. Its IUPAC name is N-butyl-6-(3,4-dihydro-2H-quinolin-1-yl)-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-6-(3,4-dihydro-2H-quinolin-1-yl)-N,2-dimethylpyrimidin-4-amine
PubChem CID112876355
Molecular FormulaC19H26N4
Molecular Weight310.45 g/mol
Exact Mass310.22
IUPAC NameN-butyl-6-(3,4-dihydro-2H-quinolin-1-yl)-N,2-dimethylpyrimidin-4-amine
SMILESCCCCN(C)c1cc(N2CCCc3ccccc32)nc(C)n1
InChIInChI=1S/C19H26N4/c1-4-5-12-22(3)18-14-19(21-15(2)20-18)23-13-8-10-16-9-6-7-11-17(16)23/h6-7,9,11,14H,4-5,8,10,12-13H2,1-3H3
InChIKeyHXWSUDWUEKVAKH-UHFFFAOYSA-N
XLogP4.11
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-(2,3-dihydroindol-1-yl)-N,2-dimethylpyrimidin-4-amine
CID 112872223
N-butyl-5-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-1,2,4-triazin-3-amine
CID 112960153
N-butyl-2-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine
CID 112900573
N-butyl-4-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-2-amine
CID 112900683
N-butyl-N,2-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112875331
6-(4-benzylpiperidin-1-yl)-N-butyl-N,2-dimethylpyrimidin-4-amine
CID 112876342
1-[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
CID 112877328
N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methyl-N-propan-2-ylpyrimidin-4-amine
CID 112876095
N-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 112913021
2-[[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112877330
1-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
CID 112868870
N-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
CID 112877336

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(3,4-dihydro-2H-quinolin-1-yl)-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of N-butyl-6-(3,4-dihydro-2H-quinolin-1-yl)-N,2-dimethylpyrimidin-4-amine (CID 112876355) is N-butyl-6-(3,4-dihydro-2H-quinolin-1-yl)-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-butyl-6-(3,4-dihydro-2H-quinolin-1-yl)-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for N-butyl-6-(3,4-dihydro-2H-quinolin-1-yl)-N,2-dimethylpyrimidin-4-amine is CCCCN(C)c1cc(N2CCCc3ccccc32)nc(C)n1.
What is the InChIKey of N-butyl-6-(3,4-dihydro-2H-quinolin-1-yl)-N,2-dimethylpyrimidin-4-amine?
The InChIKey is HXWSUDWUEKVAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-4-5-12-22(3)18-14-19(21-15(2)20-18)23-13-8-10-16-9-6-7-11-17(16)23/h6-7,9,11,14H,4-5,8,10,12-13H2,1-3H3.
What are the key properties of N-butyl-6-(3,4-dihydro-2H-quinolin-1-yl)-N,2-dimethylpyrimidin-4-amine?
N-butyl-6-(3,4-dihydro-2H-quinolin-1-yl)-N,2-dimethylpyrimidin-4-amine has a molecular weight of 310.45 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(3,4-dihydro-2H-quinolin-1-yl)-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 112876355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).