1-cyclopropyl-N-methyl-N-quinazolin-2-ylethane-1,2-diamine

C14H18N4 — CID 114789555

IUPAC1-cyclopropyl-N-methyl-N-quinazolin-2-ylethane-1,2-diamine
SMILESCN(c1ncc2ccccc2n1)C(CN)C1CC1
InChIInChI=1S/C14H18N4/c1-18(13(8-15)10-6-7-10)14-16-9-11-4-2-3-5-12(11)17-14/h2-5,9-10,13H,6-8,15H2,1H3
InChIKeyJLBGHRKIMHGAPQ-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.80
Rot. Bonds4

About 1-cyclopropyl-N-methyl-N-quinazolin-2-ylethane-1,2-diamine

1-cyclopropyl-N-methyl-N-quinazolin-2-ylethane-1,2-diamine (PubChem CID 114789555) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-N-quinazolin-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-N-quinazolin-2-ylethane-1,2-diamine
PubChem CID114789555
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name1-cyclopropyl-N-methyl-N-quinazolin-2-ylethane-1,2-diamine
SMILESCN(c1ncc2ccccc2n1)C(CN)C1CC1
InChIInChI=1S/C14H18N4/c1-18(13(8-15)10-6-7-10)14-16-9-11-4-2-3-5-12(11)17-14/h2-5,9-10,13H,6-8,15H2,1H3
InChIKeyJLBGHRKIMHGAPQ-UHFFFAOYSA-N
XLogP1.80
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-methyl-N-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine
CID 116653334
2,6-dimethylheptane;N-methyl-N-propan-2-ylquinazolin-2-amine
CID 167588136
N-(2,1-benzothiazol-3-yl)-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116653177
1-N,4-dimethyl-1-N-quinazolin-2-ylpentane-1,3-diamine
CID 114789544
1-cyclopropyl-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methylethane-1,2-diamine
CID 116653264
1-cyclopropyl-N-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 116653195
1-[methyl(quinazolin-2-yl)amino]propan-2-ol
CID 114789604
N'-propan-2-yl-N'-quinazolin-2-ylpropane-1,3-diamine
CID 114788668
N'-cyclohexyl-N'-quinazolin-2-ylpropane-1,3-diamine
CID 114788671
N-(2-chloroethyl)-N-methylquinazolin-2-amine
CID 114789805
1-cyclopropyl-N-methyl-N-(2-methylsulfonylphenyl)ethane-1,2-diamine
CID 116653304
2-[(2-amino-1-cyclopropylethyl)-methylamino]benzenesulfonamide
CID 116653255

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-N-quinazolin-2-ylethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-methyl-N-quinazolin-2-ylethane-1,2-diamine (CID 114789555) is 1-cyclopropyl-N-methyl-N-quinazolin-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-N-quinazolin-2-ylethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-N-quinazolin-2-ylethane-1,2-diamine is CN(c1ncc2ccccc2n1)C(CN)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-N-quinazolin-2-ylethane-1,2-diamine?
The InChIKey is JLBGHRKIMHGAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-18(13(8-15)10-6-7-10)14-16-9-11-4-2-3-5-12(11)17-14/h2-5,9-10,13H,6-8,15H2,1H3.
What are the key properties of 1-cyclopropyl-N-methyl-N-quinazolin-2-ylethane-1,2-diamine?
1-cyclopropyl-N-methyl-N-quinazolin-2-ylethane-1,2-diamine has a molecular weight of 242.33 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-N-quinazolin-2-ylethane-1,2-diamine is sourced from PubChem (CID 114789555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).