N'-benzyl-N,N-dimethyl-N'-(6-methylquinazolin-4-yl)ethane-1,2-diamine

C20H24N4 — CID 133430235

IUPACN'-benzyl-N,N-dimethyl-N'-(6-methylquinazolin-4-yl)ethane-1,2-diamine
SMILESCc1ccc2ncnc(N(CCN(C)C)Cc3ccccc3)c2c1
InChIInChI=1S/C20H24N4/c1-16-9-10-19-18(13-16)20(22-15-21-19)24(12-11-23(2)3)14-17-7-5-4-6-8-17/h4-10,13,15H,11-12,14H2,1-3H3
InChIKeyZAJZTIAPFHHWTH-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.51
Rot. Bonds6

About N'-benzyl-N,N-dimethyl-N'-(6-methylquinazolin-4-yl)ethane-1,2-diamine

N'-benzyl-N,N-dimethyl-N'-(6-methylquinazolin-4-yl)ethane-1,2-diamine (PubChem CID 133430235) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is N'-benzyl-N,N-dimethyl-N'-(6-methylquinazolin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N,N-dimethyl-N'-(6-methylquinazolin-4-yl)ethane-1,2-diamine
PubChem CID133430235
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC NameN'-benzyl-N,N-dimethyl-N'-(6-methylquinazolin-4-yl)ethane-1,2-diamine
SMILESCc1ccc2ncnc(N(CCN(C)C)Cc3ccccc3)c2c1
InChIInChI=1S/C20H24N4/c1-16-9-10-19-18(13-16)20(22-15-21-19)24(12-11-23(2)3)14-17-7-5-4-6-8-17/h4-10,13,15H,11-12,14H2,1-3H3
InChIKeyZAJZTIAPFHHWTH-UHFFFAOYSA-N
XLogP3.51
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(3,4-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylethane-1,2-diamine
CID 110194315
N,6-dimethyl-N-(3-phenoxypropyl)quinazolin-4-amine
CID 112843843
6-methyl-N,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride
CID 18558695
N'-[(3,4-dimethoxyphenyl)methyl]-N'-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylethane-1,2-diamine
CID 110194317
N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-(6-propan-2-ylquinazolin-4-yl)ethane-1,2-diamine
CID 166297387
4-N-benzyl-4-N-ethylquinazoline-4,7-diamine
CID 65336807
N'-benzyl-N'-(3-cyclohexyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-N,N-dimethylethane-1,2-diamine
CID 42864558
2-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-6-methylquinazoline-4-carboxamide
CID 59483544
N,N-dibenzyl-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 5189840
N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylpropane-1,3-diamine
CID 110194319
N-benzyl-N-ethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430366
N-benzyl-1-(2,5-dimethylphenyl)-N-ethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 17017316

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N,N-dimethyl-N'-(6-methylquinazolin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N,N-dimethyl-N'-(6-methylquinazolin-4-yl)ethane-1,2-diamine (CID 133430235) is N'-benzyl-N,N-dimethyl-N'-(6-methylquinazolin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N,N-dimethyl-N'-(6-methylquinazolin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N,N-dimethyl-N'-(6-methylquinazolin-4-yl)ethane-1,2-diamine is Cc1ccc2ncnc(N(CCN(C)C)Cc3ccccc3)c2c1.
What is the InChIKey of N'-benzyl-N,N-dimethyl-N'-(6-methylquinazolin-4-yl)ethane-1,2-diamine?
The InChIKey is ZAJZTIAPFHHWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-16-9-10-19-18(13-16)20(22-15-21-19)24(12-11-23(2)3)14-17-7-5-4-6-8-17/h4-10,13,15H,11-12,14H2,1-3H3.
What are the key properties of N'-benzyl-N,N-dimethyl-N'-(6-methylquinazolin-4-yl)ethane-1,2-diamine?
N'-benzyl-N,N-dimethyl-N'-(6-methylquinazolin-4-yl)ethane-1,2-diamine has a molecular weight of 320.44 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N,N-dimethyl-N'-(6-methylquinazolin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 133430235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).