2,7-dichloro-N-cyclopropylquinazolin-4-amine

C11H9Cl2N3 — CID 114693120

IUPAC2,7-dichloro-N-cyclopropylquinazolin-4-amine
SMILESClc1ccc2c(NC3CC3)nc(Cl)nc2c1
InChIInChI=1S/C11H9Cl2N3/c12-6-1-4-8-9(5-6)15-11(13)16-10(8)14-7-2-3-7/h1,4-5,7H,2-3H2,(H,14,15,16)
InChIKeyMROUIFJLAWADFH-UHFFFAOYSA-N
MW254.12 g/mol
LogP3.51
Rot. Bonds2

About 2,7-dichloro-N-cyclopropylquinazolin-4-amine

2,7-dichloro-N-cyclopropylquinazolin-4-amine (PubChem CID 114693120) has the molecular formula C11H9Cl2N3 and a molecular weight of 254.12 g/mol. Its IUPAC name is 2,7-dichloro-N-cyclopropylquinazolin-4-amine.

Molecular Properties

Compound Name2,7-dichloro-N-cyclopropylquinazolin-4-amine
PubChem CID114693120
Molecular FormulaC11H9Cl2N3
Molecular Weight254.12 g/mol
Exact Mass253.02
IUPAC Name2,7-dichloro-N-cyclopropylquinazolin-4-amine
SMILESClc1ccc2c(NC3CC3)nc(Cl)nc2c1
InChIInChI=1S/C11H9Cl2N3/c12-6-1-4-8-9(5-6)15-11(13)16-10(8)14-7-2-3-7/h1,4-5,7H,2-3H2,(H,14,15,16)
InChIKeyMROUIFJLAWADFH-UHFFFAOYSA-N
XLogP3.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-cyclohexyl-7-methylquinazolin-4-amine
CID 134109451
2-chloro-N-cycloheptylquinazolin-4-amine
CID 22692826
2-chloro-N-cyclododecylquinazolin-4-amine
CID 22692916
2,7-dichloro-N-propan-2-ylquinazolin-4-amine
CID 114693126
2-chloro-N-cyclopropyl-6-pyrrolidin-1-ylquinazolin-4-amine
CID 114693340
2-chloro-N-cyclopentyl-6,7-dimethoxyquinazolin-4-amine
CID 22692592
4,7-dichloro-N-cyclohexylquinolin-2-amine
CID 162413926
4-[(7-chloro-4-methylquinolin-2-yl)amino]cyclohexan-1-ol
CID 31196506
6-chloro-N-cyclopropylquinazolin-4-amine
CID 13231191
2-chloro-6,7-dimethoxy-N-(oxan-4-yl)quinazolin-4-amine
CID 46901939
(7-chloro-2-cyclopropylquinazolin-4-yl)hydrazine
CID 106583896
6-bromo-2-chloro-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 118475298

Frequently Asked Questions

What is the IUPAC name of 2,7-dichloro-N-cyclopropylquinazolin-4-amine?
The IUPAC name of 2,7-dichloro-N-cyclopropylquinazolin-4-amine (CID 114693120) is 2,7-dichloro-N-cyclopropylquinazolin-4-amine.
What is the SMILES notation for 2,7-dichloro-N-cyclopropylquinazolin-4-amine?
The canonical SMILES for 2,7-dichloro-N-cyclopropylquinazolin-4-amine is Clc1ccc2c(NC3CC3)nc(Cl)nc2c1.
What is the InChIKey of 2,7-dichloro-N-cyclopropylquinazolin-4-amine?
The InChIKey is MROUIFJLAWADFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3/c12-6-1-4-8-9(5-6)15-11(13)16-10(8)14-7-2-3-7/h1,4-5,7H,2-3H2,(H,14,15,16).
What are the key properties of 2,7-dichloro-N-cyclopropylquinazolin-4-amine?
2,7-dichloro-N-cyclopropylquinazolin-4-amine has a molecular weight of 254.12 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dichloro-N-cyclopropylquinazolin-4-amine is sourced from PubChem (CID 114693120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).