N-ethyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine

C16H20N4 — CID 80756943

IUPACN-ethyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
SMILESCCNc1cc(N2c3ccccc3CCC2C)ncn1
InChIInChI=1S/C16H20N4/c1-3-17-15-10-16(19-11-18-15)20-12(2)8-9-13-6-4-5-7-14(13)20/h4-7,10-12H,3,8-9H2,1-2H3,(H,17,18,19)
InChIKeyNACITWYGKGTOJG-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.38
Rot. Bonds3

About N-ethyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine

N-ethyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine (PubChem CID 80756943) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-ethyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
PubChem CID80756943
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-ethyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
SMILESCCNc1cc(N2c3ccccc3CCC2C)ncn1
InChIInChI=1S/C16H20N4/c1-3-17-15-10-16(19-11-18-15)20-12(2)8-9-13-6-4-5-7-14(13)20/h4-7,10-12H,3,8-9H2,1-2H3,(H,17,18,19)
InChIKeyNACITWYGKGTOJG-UHFFFAOYSA-N
XLogP3.38
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine
CID 80847372
[6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]hydrazine
CID 80916971
6-(2,5-dimethylpiperidin-1-yl)-N-ethylpyrimidin-4-amine
CID 80847112
1-[4-(chloromethyl)-2-pyridinyl]-2-methyl-3,4-dihydro-2H-quinoline
CID 61257602
N,2-dimethyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 80755891
[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methanol
CID 61252238
[5-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-pyridinyl]methanol
CID 114920185
N-ethyl-6-(4-methylazepan-1-yl)pyrimidin-4-amine
CID 80834548
1-(6-chloro-2-methylpyrimidin-4-yl)-2-methyl-3,4-dihydro-2H-quinoline
CID 55080188
N-ethyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80798245
6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-2,4-diamine
CID 80757302
N-(3-bromophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112867002

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine (CID 80756943) is N-ethyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine is CCNc1cc(N2c3ccccc3CCC2C)ncn1.
What is the InChIKey of N-ethyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine?
The InChIKey is NACITWYGKGTOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-3-17-15-10-16(19-11-18-15)20-12(2)8-9-13-6-4-5-7-14(13)20/h4-7,10-12H,3,8-9H2,1-2H3,(H,17,18,19).
What are the key properties of N-ethyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine?
N-ethyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine has a molecular weight of 268.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80756943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).