2-(3,4-dihydro-2H-quinolin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile

C17H18N4 — CID 39377350

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile
SMILESCC(C)c1cc(C#N)nc(N2CCCc3ccccc32)n1
InChIInChI=1S/C17H18N4/c1-12(2)15-10-14(11-18)19-17(20-15)21-9-5-7-13-6-3-4-8-16(13)21/h3-4,6,8,10,12H,5,7,9H2,1-2H3
InChIKeySYCNKQBWUQQFBS-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.56
Rot. Bonds2

About 2-(3,4-dihydro-2H-quinolin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile

2-(3,4-dihydro-2H-quinolin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile (PubChem CID 39377350) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile
PubChem CID39377350
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile
SMILESCC(C)c1cc(C#N)nc(N2CCCc3ccccc32)n1
InChIInChI=1S/C17H18N4/c1-12(2)15-10-14(11-18)19-17(20-15)21-9-5-7-13-6-3-4-8-16(13)21/h3-4,6,8,10,12H,5,7,9H2,1-2H3
InChIKeySYCNKQBWUQQFBS-UHFFFAOYSA-N
XLogP3.56
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carbonitrile
CID 39248129
2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 21297635
4-(3,4-dihydro-2H-quinolin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80751669
6-(3,4-dihydro-2H-quinolin-1-yl)-5-methylpyridine-3-carbonitrile
CID 102545068
4-chloro-6-(3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62869344
2-propan-2-yl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine
CID 80959581
5-chloro-2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 55195565
4-(3,4-dihydro-2H-quinolin-1-yl)-3-fluorobenzonitrile
CID 43657235
4-chloro-2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 63511425
2-[[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112877330
N-cycloheptyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine
CID 112924885
(1R)-1-[2-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanol
CID 55182824

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile (CID 39377350) is 2-(3,4-dihydro-2H-quinolin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile is CC(C)c1cc(C#N)nc(N2CCCc3ccccc32)n1.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile?
The InChIKey is SYCNKQBWUQQFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-12(2)15-10-14(11-18)19-17(20-15)21-9-5-7-13-6-3-4-8-16(13)21/h3-4,6,8,10,12H,5,7,9H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile?
2-(3,4-dihydro-2H-quinolin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile has a molecular weight of 278.36 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile is sourced from PubChem (CID 39377350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).