(4,6-dichloroquinazolin-2-yl)methanamine

C9H7Cl2N3 — CID 105485144

IUPAC(4,6-dichloroquinazolin-2-yl)methanamine
SMILESNCc1nc(Cl)c2cc(Cl)ccc2n1
InChIInChI=1S/C9H7Cl2N3/c10-5-1-2-7-6(3-5)9(11)14-8(4-12)13-7/h1-3H,4,12H2
InChIKeyUTNJYQXAPVFQFX-UHFFFAOYSA-N
MW228.08 g/mol
LogP2.40
Rot. Bonds1

About (4,6-dichloroquinazolin-2-yl)methanamine

(4,6-dichloroquinazolin-2-yl)methanamine (PubChem CID 105485144) has the molecular formula C9H7Cl2N3 and a molecular weight of 228.08 g/mol. Its IUPAC name is (4,6-dichloroquinazolin-2-yl)methanamine.

Molecular Properties

Compound Name(4,6-dichloroquinazolin-2-yl)methanamine
PubChem CID105485144
Molecular FormulaC9H7Cl2N3
Molecular Weight228.08 g/mol
Exact Mass227.00
IUPAC Name(4,6-dichloroquinazolin-2-yl)methanamine
SMILESNCc1nc(Cl)c2cc(Cl)ccc2n1
InChIInChI=1S/C9H7Cl2N3/c10-5-1-2-7-6(3-5)9(11)14-8(4-12)13-7/h1-3H,4,12H2
InChIKeyUTNJYQXAPVFQFX-UHFFFAOYSA-N
XLogP2.40
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2,1-benzoxazol-3-yl)methanamine
CID 105440337
2-(4-amino-6-chloroquinazolin-2-yl)ethanol
CID 105481482
4-(aminomethyl)-6-chloro-3H-quinazolin-2-one
CID 105463660
2-(2-aminoethyl)-6-chloroquinoline-4-carboxylic acid
CID 84634019
6-chloro-2-(methylaminomethyl)quinazolin-4-amine
CID 105480053
(4-chloro-8-fluoroquinazolin-2-yl)methanamine
CID 84781950
4,6-dichloro-2-(3,5-difluorophenyl)quinazoline
CID 63085337
4-chloro-2-(2-hydroxyethyl)quinazolin-6-ol
CID 105482516
3,6-dichloro-2-methylquinolin-4-amine
CID 121236621
(6-chloro-2-propylquinazolin-4-yl)hydrazine
CID 106583784
4-chloro-6-iodo-2-propylquinazoline
CID 10616606
(4-chloropyrido[2,3-d]pyrimidin-2-yl)methanamine
CID 117274576

Frequently Asked Questions

What is the IUPAC name of (4,6-dichloroquinazolin-2-yl)methanamine?
The IUPAC name of (4,6-dichloroquinazolin-2-yl)methanamine (CID 105485144) is (4,6-dichloroquinazolin-2-yl)methanamine.
What is the SMILES notation for (4,6-dichloroquinazolin-2-yl)methanamine?
The canonical SMILES for (4,6-dichloroquinazolin-2-yl)methanamine is NCc1nc(Cl)c2cc(Cl)ccc2n1.
What is the InChIKey of (4,6-dichloroquinazolin-2-yl)methanamine?
The InChIKey is UTNJYQXAPVFQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3/c10-5-1-2-7-6(3-5)9(11)14-8(4-12)13-7/h1-3H,4,12H2.
What are the key properties of (4,6-dichloroquinazolin-2-yl)methanamine?
(4,6-dichloroquinazolin-2-yl)methanamine has a molecular weight of 228.08 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dichloroquinazolin-2-yl)methanamine is sourced from PubChem (CID 105485144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).