N-(4-bromo-3-methylphenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine

C20H19BrN4 — CID 112902378

IUPACN-(4-bromo-3-methylphenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine
SMILESCc1cc(Nc2nccc(N3CCCc4ccccc43)n2)ccc1Br
InChIInChI=1S/C20H19BrN4/c1-14-13-16(8-9-17(14)21)23-20-22-11-10-19(24-20)25-12-4-6-15-5-2-3-7-18(15)25/h2-3,5,7-11,13H,4,6,12H2,1H3,(H,22,23,24)
InChIKeyWPRWYRUEKNEKBZ-UHFFFAOYSA-N
MW395.30 g/mol
LogP5.38
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine

N-(4-bromo-3-methylphenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine (PubChem CID 112902378) has the molecular formula C20H19BrN4 and a molecular weight of 395.30 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine
PubChem CID112902378
Molecular FormulaC20H19BrN4
Molecular Weight395.30 g/mol
Exact Mass394.08
IUPAC NameN-(4-bromo-3-methylphenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine
SMILESCc1cc(Nc2nccc(N3CCCc4ccccc43)n2)ccc1Br
InChIInChI=1S/C20H19BrN4/c1-14-13-16(8-9-17(14)21)23-20-22-11-10-19(24-20)25-12-4-6-15-5-2-3-7-18(15)25/h2-3,5,7-11,13H,4,6,12H2,1H3,(H,22,23,24)
InChIKeyWPRWYRUEKNEKBZ-UHFFFAOYSA-N
XLogP5.38
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.30
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-methylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine
CID 112962828
N-(5-chloro-2-methoxyphenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine
CID 112902343
N-(5-chloro-2-methylphenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112902192
4-(3,4-dihydro-2H-quinolin-1-yl)-N-[4-(3-methylbutylamino)sulfanylphenyl]pyrimidin-2-amine
CID 137446248
N-[4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112902218
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890732
N-(4-bromo-3-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885211
4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]benzonitrile
CID 112902261
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-2-amine
CID 112927864
1-(5-bromo-6-methyl-2-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine
CID 114047648
N-[4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112887804
1-[2-(3-chloroanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-5-ol
CID 56969109

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(4-bromo-3-methylphenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine (CID 112902378) is N-(4-bromo-3-methylphenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine is Cc1cc(Nc2nccc(N3CCCc4ccccc43)n2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine?
The InChIKey is WPRWYRUEKNEKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4/c1-14-13-16(8-9-17(14)21)23-20-22-11-10-19(24-20)25-12-4-6-15-5-2-3-7-18(15)25/h2-3,5,7-11,13H,4,6,12H2,1H3,(H,22,23,24).
What are the key properties of N-(4-bromo-3-methylphenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine?
N-(4-bromo-3-methylphenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine has a molecular weight of 395.30 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112902378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).