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

C20H19FN4 — CID 112859761

IUPAC6-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine
SMILESFc1ccc(CNc2cc(N3CCCc4ccccc43)ncn2)cc1
InChIInChI=1S/C20H19FN4/c21-17-9-7-15(8-10-17)13-22-19-12-20(24-14-23-19)25-11-3-5-16-4-1-2-6-18(16)25/h1-2,4,6-10,12,14H,3,5,11,13H2,(H,22,23,24)
InChIKeyJRSMXVHOVTWQLB-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.31
Rot. Bonds4

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

6-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine (PubChem CID 112859761) has the molecular formula C20H19FN4 and a molecular weight of 334.40 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine
PubChem CID112859761
Molecular FormulaC20H19FN4
Molecular Weight334.40 g/mol
Exact Mass334.16
IUPAC Name6-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine
SMILESFc1ccc(CNc2cc(N3CCCc4ccccc43)ncn2)cc1
InChIInChI=1S/C20H19FN4/c21-17-9-7-15(8-10-17)13-22-19-12-20(24-14-23-19)25-11-3-5-16-4-1-2-6-18(16)25/h1-2,4,6-10,12,14H,3,5,11,13H2,(H,22,23,24)
InChIKeyJRSMXVHOVTWQLB-UHFFFAOYSA-N
XLogP4.31
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.31
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-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348421
N-cyclopropyl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 112854768
N-[(4-fluorophenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859720
N-[2-(cyclohexen-1-yl)ethyl]-6-(2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112856595
N-[4-[[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865139
3,4-dihydro-2H-quinolin-1-yl-[6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109347315
1-(6-fluoropyrimidin-4-yl)-2,3-dihydroindole
CID 115416366
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine
CID 112918466
3,4-dihydro-2H-quinolin-1-yl-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]methanone
CID 109119452
5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine
CID 112953804
6-N-[(4-fluorophenyl)methyl]-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115265801

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine (CID 112859761) is 6-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine is Fc1ccc(CNc2cc(N3CCCc4ccccc43)ncn2)cc1.
What is the InChIKey of 6-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine?
The InChIKey is JRSMXVHOVTWQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4/c21-17-9-7-15(8-10-17)13-22-19-12-20(24-14-23-19)25-11-3-5-16-4-1-2-6-18(16)25/h1-2,4,6-10,12,14H,3,5,11,13H2,(H,22,23,24).
What are the key properties of 6-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine?
6-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine has a molecular weight of 334.40 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 112859761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).