2-chloro-N-(1-methylpyrrolidin-3-yl)quinazolin-4-amine

C13H15ClN4 — CID 62477526

IUPAC2-chloro-N-(1-methylpyrrolidin-3-yl)quinazolin-4-amine
SMILESCN1CCC(Nc2nc(Cl)nc3ccccc23)C1
InChIInChI=1S/C13H15ClN4/c1-18-7-6-9(8-18)15-12-10-4-2-3-5-11(10)16-13(14)17-12/h2-5,9H,6-8H2,1H3,(H,15,16,17)
InChIKeyXLYPYAVAWAEWIL-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.40
Rot. Bonds2

About 2-chloro-N-(1-methylpyrrolidin-3-yl)quinazolin-4-amine

2-chloro-N-(1-methylpyrrolidin-3-yl)quinazolin-4-amine (PubChem CID 62477526) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-chloro-N-(1-methylpyrrolidin-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1-methylpyrrolidin-3-yl)quinazolin-4-amine
PubChem CID62477526
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name2-chloro-N-(1-methylpyrrolidin-3-yl)quinazolin-4-amine
SMILESCN1CCC(Nc2nc(Cl)nc3ccccc23)C1
InChIInChI=1S/C13H15ClN4/c1-18-7-6-9(8-18)15-12-10-4-2-3-5-11(10)16-13(14)17-12/h2-5,9H,6-8H2,1H3,(H,15,16,17)
InChIKeyXLYPYAVAWAEWIL-UHFFFAOYSA-N
XLogP2.40
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-cycloheptylquinazolin-4-amine
CID 22692826
2-chloro-N-cyclododecylquinazolin-4-amine
CID 22692916
2-chloro-N-[(1-methylpiperidin-3-yl)methyl]quinazolin-4-amine
CID 62475651
4-N-(1-methylpyrrolidin-3-yl)quinoline-3,4-diamine
CID 113359410
2-methyl-4-[(1-methylpyrrolidin-3-yl)amino]phthalazin-1-one
CID 118928691
2-chloro-5-fluoro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine
CID 79081840
2-chloro-6-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine
CID 62481987
2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-amine
CID 106028358
N-(2-chlorophenyl)-1-methylpyrrolidin-3-amine
CID 62975578
2-chloro-N-(cyclobutylmethyl)quinazolin-4-amine
CID 62477691
3,6-dichloro-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine
CID 81035335
3-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-6-(1-phenylethyl)-1,2,4-triazin-5-amine
CID 166772519

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methylpyrrolidin-3-yl)quinazolin-4-amine?
The IUPAC name of 2-chloro-N-(1-methylpyrrolidin-3-yl)quinazolin-4-amine (CID 62477526) is 2-chloro-N-(1-methylpyrrolidin-3-yl)quinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-(1-methylpyrrolidin-3-yl)quinazolin-4-amine?
The canonical SMILES for 2-chloro-N-(1-methylpyrrolidin-3-yl)quinazolin-4-amine is CN1CCC(Nc2nc(Cl)nc3ccccc23)C1.
What is the InChIKey of 2-chloro-N-(1-methylpyrrolidin-3-yl)quinazolin-4-amine?
The InChIKey is XLYPYAVAWAEWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-18-7-6-9(8-18)15-12-10-4-2-3-5-11(10)16-13(14)17-12/h2-5,9H,6-8H2,1H3,(H,15,16,17).
What are the key properties of 2-chloro-N-(1-methylpyrrolidin-3-yl)quinazolin-4-amine?
2-chloro-N-(1-methylpyrrolidin-3-yl)quinazolin-4-amine has a molecular weight of 262.74 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methylpyrrolidin-3-yl)quinazolin-4-amine is sourced from PubChem (CID 62477526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).