6-chloro-2-(methylaminomethyl)quinazolin-4-amine

C10H11ClN4 — CID 105480053

IUPAC6-chloro-2-(methylaminomethyl)quinazolin-4-amine
SMILESCNCc1nc(N)c2cc(Cl)ccc2n1
InChIInChI=1S/C10H11ClN4/c1-13-5-9-14-8-3-2-6(11)4-7(8)10(12)15-9/h2-4,13H,5H2,1H3,(H2,12,14,15)
InChIKeyJGEFCLCHKQZAKB-UHFFFAOYSA-N
MW222.68 g/mol
LogP1.58
Rot. Bonds2

About 6-chloro-2-(methylaminomethyl)quinazolin-4-amine

6-chloro-2-(methylaminomethyl)quinazolin-4-amine (PubChem CID 105480053) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 6-chloro-2-(methylaminomethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(methylaminomethyl)quinazolin-4-amine
PubChem CID105480053
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name6-chloro-2-(methylaminomethyl)quinazolin-4-amine
SMILESCNCc1nc(N)c2cc(Cl)ccc2n1
InChIInChI=1S/C10H11ClN4/c1-13-5-9-14-8-3-2-6(11)4-7(8)10(12)15-9/h2-4,13H,5H2,1H3,(H2,12,14,15)
InChIKeyJGEFCLCHKQZAKB-UHFFFAOYSA-N
XLogP1.58
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(methylaminomethyl)quinazolin-4-amine?
The IUPAC name of 6-chloro-2-(methylaminomethyl)quinazolin-4-amine (CID 105480053) is 6-chloro-2-(methylaminomethyl)quinazolin-4-amine.
What is the SMILES notation for 6-chloro-2-(methylaminomethyl)quinazolin-4-amine?
The canonical SMILES for 6-chloro-2-(methylaminomethyl)quinazolin-4-amine is CNCc1nc(N)c2cc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-2-(methylaminomethyl)quinazolin-4-amine?
The InChIKey is JGEFCLCHKQZAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-13-5-9-14-8-3-2-6(11)4-7(8)10(12)15-9/h2-4,13H,5H2,1H3,(H2,12,14,15).
What are the key properties of 6-chloro-2-(methylaminomethyl)quinazolin-4-amine?
6-chloro-2-(methylaminomethyl)quinazolin-4-amine has a molecular weight of 222.68 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(methylaminomethyl)quinazolin-4-amine is sourced from PubChem (CID 105480053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).