N-(2,3-dimethoxypropyl)quinazolin-2-amine

C13H17N3O2 — CID 114100734

IUPACN-(2,3-dimethoxypropyl)quinazolin-2-amine
SMILESCOCC(CNc1ncc2ccccc2n1)OC
InChIInChI=1S/C13H17N3O2/c1-17-9-11(18-2)8-15-13-14-7-10-5-3-4-6-12(10)16-13/h3-7,11H,8-9H2,1-2H3,(H,14,15,16)
InChIKeyJZDMEWNAJYTQFV-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.70
Rot. Bonds6

About N-(2,3-dimethoxypropyl)quinazolin-2-amine

N-(2,3-dimethoxypropyl)quinazolin-2-amine (PubChem CID 114100734) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(2,3-dimethoxypropyl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(2,3-dimethoxypropyl)quinazolin-2-amine
PubChem CID114100734
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-(2,3-dimethoxypropyl)quinazolin-2-amine
SMILESCOCC(CNc1ncc2ccccc2n1)OC
InChIInChI=1S/C13H17N3O2/c1-17-9-11(18-2)8-15-13-14-7-10-5-3-4-6-12(10)16-13/h3-7,11H,8-9H2,1-2H3,(H,14,15,16)
InChIKeyJZDMEWNAJYTQFV-UHFFFAOYSA-N
XLogP1.70
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dimethoxypropyl)quinazolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-3-methoxypropyl)quinazolin-2-amine
CID 114789830
N-(2-phenylpropyl)quinazolin-2-amine
CID 114789270
1-(quinazolin-2-ylamino)propan-2-ol
CID 114788870
3-(quinazolin-2-ylamino)propane-1,2-diol
CID 114789175
N'-(2-methoxyethyl)-N'-methyl-N-quinazolin-2-ylethane-1,2-diamine
CID 114789069
4-methoxy-3-N-quinazolin-2-ylbutane-1,3-diamine
CID 106154707
N',N'-di(propan-2-yl)-N-quinazolin-2-ylethane-1,2-diamine
CID 114788824
N-[(2-methoxyphenyl)methyl]quinazolin-2-amine
CID 114788826
N-(4-propan-2-yloxybutyl)quinazolin-2-amine
CID 106012372
N-(4-chloro-2-ethylbutyl)quinazolin-2-amine
CID 114789856
N-(3-butoxypropyl)quinazolin-2-amine
CID 114789297
N'-quinazolin-2-ylethane-1,2-diamine
CID 114788771

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethoxypropyl)quinazolin-2-amine?
The IUPAC name of N-(2,3-dimethoxypropyl)quinazolin-2-amine (CID 114100734) is N-(2,3-dimethoxypropyl)quinazolin-2-amine.
What is the SMILES notation for N-(2,3-dimethoxypropyl)quinazolin-2-amine?
The canonical SMILES for N-(2,3-dimethoxypropyl)quinazolin-2-amine is COCC(CNc1ncc2ccccc2n1)OC.
What is the InChIKey of N-(2,3-dimethoxypropyl)quinazolin-2-amine?
The InChIKey is JZDMEWNAJYTQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-17-9-11(18-2)8-15-13-14-7-10-5-3-4-6-12(10)16-13/h3-7,11H,8-9H2,1-2H3,(H,14,15,16).
What are the key properties of N-(2,3-dimethoxypropyl)quinazolin-2-amine?
N-(2,3-dimethoxypropyl)quinazolin-2-amine has a molecular weight of 247.30 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethoxypropyl)quinazolin-2-amine is sourced from PubChem (CID 114100734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).