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

C21H22N4 — CID 112890732

IUPAC4-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
SMILESCC(Nc1nccc(N2CCCc3ccccc32)n1)c1ccccc1
InChIInChI=1S/C21H22N4/c1-16(17-8-3-2-4-9-17)23-21-22-14-13-20(24-21)25-15-7-11-18-10-5-6-12-19(18)25/h2-6,8-10,12-14,16H,7,11,15H2,1H3,(H,22,23,24)
InChIKeyVWKRDCTXZNOLPA-UHFFFAOYSA-N
MW330.44 g/mol
LogP4.73
Rot. Bonds4

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

4-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine (PubChem CID 112890732) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
PubChem CID112890732
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
SMILESCC(Nc1nccc(N2CCCc3ccccc32)n1)c1ccccc1
InChIInChI=1S/C21H22N4/c1-16(17-8-3-2-4-9-17)23-21-22-14-13-20(24-21)25-15-7-11-18-10-5-6-12-19(18)25/h2-6,8-10,12-14,16H,7,11,15H2,1H3,(H,22,23,24)
InChIKeyVWKRDCTXZNOLPA-UHFFFAOYSA-N
XLogP4.73
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine with MolForge

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Related Compounds

5-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-3-amine
CID 112949104
4-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890728
N-(1-phenylethyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884450
4-(2-methyl-2,3-dihydroindol-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890774
4-(2,3-dihydroindol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 112883419
N-[4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112887804
3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130284682
N-(4-bromo-3-methylphenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine
CID 112902378
4-(3,4-dihydro-2H-quinolin-1-yl)-N-[4-(3-methylbutylamino)sulfanylphenyl]pyrimidin-2-amine
CID 137446248
4-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112885071
4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
CID 112897300
1-[2-[[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one
CID 130284604

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine (CID 112890732) is 4-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine is CC(Nc1nccc(N2CCCc3ccccc32)n1)c1ccccc1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine?
The InChIKey is VWKRDCTXZNOLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-16(17-8-3-2-4-9-17)23-21-22-14-13-20(24-21)25-15-7-11-18-10-5-6-12-19(18)25/h2-6,8-10,12-14,16H,7,11,15H2,1H3,(H,22,23,24).
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine?
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine has a molecular weight of 330.44 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine is sourced from PubChem (CID 112890732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).