N-[2-(7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]pyrimidin-4-amine

C16H19FN4 — CID 175954481

IUPACN-[2-(7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]pyrimidin-4-amine
SMILESCN1CCCc2cc(CCNc3ccncn3)c(F)cc21
InChIInChI=1S/C16H19FN4/c1-21-8-2-3-13-9-12(14(17)10-15(13)21)4-7-19-16-5-6-18-11-20-16/h5-6,9-11H,2-4,7-8H2,1H3,(H,18,19,20)
InChIKeyBOHCMTYFKBNXNO-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.65
Rot. Bonds4

About N-[2-(7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]pyrimidin-4-amine

N-[2-(7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]pyrimidin-4-amine (PubChem CID 175954481) has the molecular formula C16H19FN4 and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[2-(7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]pyrimidin-4-amine
PubChem CID175954481
Molecular FormulaC16H19FN4
Molecular Weight286.35 g/mol
Exact Mass286.16
IUPAC NameN-[2-(7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]pyrimidin-4-amine
SMILESCN1CCCc2cc(CCNc3ccncn3)c(F)cc21
InChIInChI=1S/C16H19FN4/c1-21-8-2-3-13-9-12(14(17)10-15(13)21)4-7-19-16-5-6-18-11-20-16/h5-6,9-11H,2-4,7-8H2,1H3,(H,18,19,20)
InChIKeyBOHCMTYFKBNXNO-UHFFFAOYSA-N
XLogP2.65
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of N-[2-(7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]pyrimidin-4-amine (CID 175954481) is N-[2-(7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for N-[2-(7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]pyrimidin-4-amine is CN1CCCc2cc(CCNc3ccncn3)c(F)cc21.
What is the InChIKey of N-[2-(7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]pyrimidin-4-amine?
The InChIKey is BOHCMTYFKBNXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4/c1-21-8-2-3-13-9-12(14(17)10-15(13)21)4-7-19-16-5-6-18-11-20-16/h5-6,9-11H,2-4,7-8H2,1H3,(H,18,19,20).
What are the key properties of N-[2-(7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]pyrimidin-4-amine?
N-[2-(7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]pyrimidin-4-amine has a molecular weight of 286.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 175954481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).