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

C17H23N5 — CID 112887033

IUPACN-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ccnc(N2CCCc3ccccc32)n1
InChIInChI=1S/C17H23N5/c1-21(2)13-11-18-16-9-10-19-17(20-16)22-12-5-7-14-6-3-4-8-15(14)22/h3-4,6,8-10H,5,7,11-13H2,1-2H3,(H,18,19,20)
InChIKeyVYNMXBSQVHCSFG-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.53
Rot. Bonds5

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

N-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 112887033) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID112887033
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ccnc(N2CCCc3ccccc32)n1
InChIInChI=1S/C17H23N5/c1-21(2)13-11-18-16-9-10-19-17(20-16)22-12-5-7-14-6-3-4-8-15(14)22/h3-4,6,8-10H,5,7,11-13H2,1-2H3,(H,18,19,20)
InChIKeyVYNMXBSQVHCSFG-UHFFFAOYSA-N
XLogP2.53
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine with MolForge

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Related Compounds

N-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112913500
N-[(2-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 112891691
N-[4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112887804
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]-5-methyl-1,2-oxazol-3-amine
CID 112902442
N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112897064
N-butyl-3-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-5-amine
CID 112939966
N-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112880877
N',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine
CID 66903521
2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109314281
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112902414
N-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 112902403

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine (CID 112887033) is N-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1ccnc(N2CCCc3ccccc32)n1.
What is the InChIKey of N-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is VYNMXBSQVHCSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-21(2)13-11-18-16-9-10-19-17(20-16)22-12-5-7-14-6-3-4-8-15(14)22/h3-4,6,8-10H,5,7,11-13H2,1-2H3,(H,18,19,20).
What are the key properties of N-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
N-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 297.41 g/mol, XLogP of 2.53, 5 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)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 112887033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).