2,6-bis(chloromethyl)quinazolin-4-amine

C10H9Cl2N3 — CID 91333470

IUPAC2,6-bis(chloromethyl)quinazolin-4-amine
SMILESNc1nc(CCl)nc2ccc(CCl)cc12
InChIInChI=1S/C10H9Cl2N3/c11-4-6-1-2-8-7(3-6)10(13)15-9(5-12)14-8/h1-3H,4-5H2,(H2,13,14,15)
InChIKeyPECOFAFVSYLGAP-UHFFFAOYSA-N
MW242.11 g/mol
LogP2.69
Rot. Bonds2

About 2,6-bis(chloromethyl)quinazolin-4-amine

2,6-bis(chloromethyl)quinazolin-4-amine (PubChem CID 91333470) has the molecular formula C10H9Cl2N3 and a molecular weight of 242.11 g/mol. Its IUPAC name is 2,6-bis(chloromethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2,6-bis(chloromethyl)quinazolin-4-amine
PubChem CID91333470
Molecular FormulaC10H9Cl2N3
Molecular Weight242.11 g/mol
Exact Mass241.02
IUPAC Name2,6-bis(chloromethyl)quinazolin-4-amine
SMILESNc1nc(CCl)nc2ccc(CCl)cc12
InChIInChI=1S/C10H9Cl2N3/c11-4-6-1-2-8-7(3-6)10(13)15-9(5-12)14-8/h1-3H,4-5H2,(H2,13,14,15)
InChIKeyPECOFAFVSYLGAP-UHFFFAOYSA-N
XLogP2.69
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-6-chloroquinazolin-2-yl)ethanol
CID 105481482
2,7-bis(chloromethyl)acridine
CID 132525566
6-chloro-2-(methylaminomethyl)quinazolin-4-amine
CID 105480053
2-benzyl-6-iodoquinazolin-4-amine
CID 163550533
(4-amino-2-methylquinazolin-6-yl)methanol
CID 142164953
6-(nitrosomethyl)quinazoline-2,4-diamine
CID 172623336
2-(chloromethyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 124706862
8-bromo-2-(chloromethyl)quinazolin-4-amine
CID 155601133
6-(phenylsulfanylmethyl)quinazoline-2,4-diamine
CID 10779267
2,7-bis(chloromethyl)phenanthrene
CID 139627451
2-ethyl-6-phenoxyquinazolin-4-amine
CID 106584239
2-(4-amino-6-methoxyquinazolin-2-yl)ethanol
CID 105473832

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(chloromethyl)quinazolin-4-amine?
The IUPAC name of 2,6-bis(chloromethyl)quinazolin-4-amine (CID 91333470) is 2,6-bis(chloromethyl)quinazolin-4-amine.
What is the SMILES notation for 2,6-bis(chloromethyl)quinazolin-4-amine?
The canonical SMILES for 2,6-bis(chloromethyl)quinazolin-4-amine is Nc1nc(CCl)nc2ccc(CCl)cc12.
What is the InChIKey of 2,6-bis(chloromethyl)quinazolin-4-amine?
The InChIKey is PECOFAFVSYLGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3/c11-4-6-1-2-8-7(3-6)10(13)15-9(5-12)14-8/h1-3H,4-5H2,(H2,13,14,15).
What are the key properties of 2,6-bis(chloromethyl)quinazolin-4-amine?
2,6-bis(chloromethyl)quinazolin-4-amine has a molecular weight of 242.11 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(chloromethyl)quinazolin-4-amine is sourced from PubChem (CID 91333470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).