4-[4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine

C22H32N6 — CID 72916033

IUPAC4-[4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCC(NCCCN3CCCc4ccccc43)CC2)nc(N)n1
InChIInChI=1S/C22H32N6/c1-17-16-21(26-22(23)25-17)28-14-9-19(10-15-28)24-11-5-13-27-12-4-7-18-6-2-3-8-20(18)27/h2-3,6,8,16,19,24H,4-5,7,9-15H2,1H3,(H2,23,25,26)
InChIKeyOSQYCWKFFASGRO-UHFFFAOYSA-N
MW380.54 g/mol
LogP2.77
Rot. Bonds6

About 4-[4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine

4-[4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine (PubChem CID 72916033) has the molecular formula C22H32N6 and a molecular weight of 380.54 g/mol. Its IUPAC name is 4-[4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine
PubChem CID72916033
Molecular FormulaC22H32N6
Molecular Weight380.54 g/mol
Exact Mass380.27
IUPAC Name4-[4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCC(NCCCN3CCCc4ccccc43)CC2)nc(N)n1
InChIInChI=1S/C22H32N6/c1-17-16-21(26-22(23)25-17)28-14-9-19(10-15-28)24-11-5-13-27-12-4-7-18-6-2-3-8-20(18)27/h2-3,6,8,16,19,24H,4-5,7,9-15H2,1H3,(H2,23,25,26)
InChIKeyOSQYCWKFFASGRO-UHFFFAOYSA-N
XLogP2.77
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-(3,4-dihydro-2H-quinolin-1-yl)pentyl]cyclopropanamine
CID 55069946
N-[3-(2,3-dihydroindol-1-yl)propyl]cyclopropanamine
CID 60867490
4-methyl-6-[4-[4-[(2S)-oxolan-2-yl]butylamino]piperidin-1-yl]pyrimidin-2-amine
CID 97206452
4-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine
CID 78948022
4-methyl-6-[4-[(3-piperidin-1-ylphenyl)methylamino]piperidin-1-yl]pyrimidin-2-amine
CID 169075715
4-methyl-6-[4-[[1-(phenoxymethyl)cyclopropyl]methylamino]piperidin-1-yl]pyrimidin-2-amine
CID 72845869
N-[3-(2,3-dihydroindol-1-yl)propyl]piperidin-4-amine
CID 54902685
4-[4-[(3-methoxyphenyl)methylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine
CID 169075730
2-amino-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 131946106
N-[2-(2,3-dihydroindol-1-yl)ethyl]cyclopentanamine
CID 55024431
4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine
CID 60840995
4-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-2-amine
CID 79478769

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine?
The IUPAC name of 4-[4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine (CID 72916033) is 4-[4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-[4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine is Cc1cc(N2CCC(NCCCN3CCCc4ccccc43)CC2)nc(N)n1.
What is the InChIKey of 4-[4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine?
The InChIKey is OSQYCWKFFASGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6/c1-17-16-21(26-22(23)25-17)28-14-9-19(10-15-28)24-11-5-13-27-12-4-7-18-6-2-3-8-20(18)27/h2-3,6,8,16,19,24H,4-5,7,9-15H2,1H3,(H2,23,25,26).
What are the key properties of 4-[4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine?
4-[4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine has a molecular weight of 380.54 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 72916033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).