N-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine

C19H27N5 — CID 112913500

IUPACN-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCc1cc(NCCCN(C)C)nc(N2CCCc3ccccc32)n1
InChIInChI=1S/C19H27N5/c1-15-14-18(20-11-7-12-23(2)3)22-19(21-15)24-13-6-9-16-8-4-5-10-17(16)24/h4-5,8,10,14H,6-7,9,11-13H2,1-3H3,(H,20,21,22)
InChIKeySXHJQKIGXUGOFF-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.23
Rot. Bonds6

About N-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine

N-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 112913500) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID112913500
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCc1cc(NCCCN(C)C)nc(N2CCCc3ccccc32)n1
InChIInChI=1S/C19H27N5/c1-15-14-18(20-11-7-12-23(2)3)22-19(21-15)24-13-6-9-16-8-4-5-10-17(16)24/h4-5,8,10,14H,6-7,9,11-13H2,1-3H3,(H,20,21,22)
InChIKeySXHJQKIGXUGOFF-UHFFFAOYSA-N
XLogP3.23
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112887033
N-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112880877
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine
CID 112918466
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112913469
N-cycloheptyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine
CID 112924885
N-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 112913021
N-[4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112887804
N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109320696
N-[2-(3-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine
CID 112926469
N-butyl-3-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-5-amine
CID 112939966
2-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319150
N-(2,4-difluorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine
CID 112927953

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine (CID 112913500) is N-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine is Cc1cc(NCCCN(C)C)nc(N2CCCc3ccccc32)n1.
What is the InChIKey of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is SXHJQKIGXUGOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-15-14-18(20-11-7-12-23(2)3)22-19(21-15)24-13-6-9-16-8-4-5-10-17(16)24/h4-5,8,10,14H,6-7,9,11-13H2,1-3H3,(H,20,21,22).
What are the key properties of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 325.46 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 112913500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).