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

C18H25N5 — CID 112887804

IUPACN-[4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1nccc(N2CCCc3ccccc32)n1
InChIInChI=1S/C18H25N5/c1-22(2)13-6-11-19-18-20-12-10-17(21-18)23-14-5-8-15-7-3-4-9-16(15)23/h3-4,7,9-10,12H,5-6,8,11,13-14H2,1-2H3,(H,19,20,21)
InChIKeyMPTNZDJSZZDTCS-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.92
Rot. Bonds6

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

N-[4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 112887804) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID112887804
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC NameN-[4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1nccc(N2CCCc3ccccc32)n1
InChIInChI=1S/C18H25N5/c1-22(2)13-6-11-19-18-20-12-10-17(21-18)23-14-5-8-15-7-3-4-9-16(15)23/h3-4,7,9-10,12H,5-6,8,11,13-14H2,1-2H3,(H,19,20,21)
InChIKeyMPTNZDJSZZDTCS-UHFFFAOYSA-N
XLogP2.92
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.92
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-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112880877
N-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 112913021
N-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112887033
4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
CID 112897300
4-(2,3-dihydroindol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
CID 112894122
N',N'-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]propane-1,3-diamine
CID 112887781
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112913500
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890732
4-(2,3-dihydroindol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 112883419
4-(2,3-dihydroindol-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 129086093
N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112887792
N-[4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 112887167

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine (CID 112887804) is N-[4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNc1nccc(N2CCCc3ccccc32)n1.
What is the InChIKey of N-[4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is MPTNZDJSZZDTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-22(2)13-6-11-19-18-20-12-10-17(21-18)23-14-5-8-15-7-3-4-9-16(15)23/h3-4,7,9-10,12H,5-6,8,11,13-14H2,1-2H3,(H,19,20,21).
What are the key properties of N-[4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine?
N-[4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 311.43 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 112887804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).