6-Chloroquinazoline-2,4-diamine

C8H7ClN4 — CID 256219

IUPAC6-chloroquinazoline-2,4-diamine
SMILESC1=CC2=C(C=C1Cl)C(=NC(=N2)N)N
InChIInChI=1S/C8H7ClN4/c9-4-1-2-6-5(3-4)7(10)13-8(11)12-6/h1-3H,(H4,10,11,12,13)
InChIKeyZMQPXDMCQOHVLV-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.60
Rot. Bonds

About 6-Chloroquinazoline-2,4-diamine

6-Chloroquinazoline-2,4-diamine (PubChem CID 256219) has the molecular formula C8H7ClN4 and a molecular weight of 194.62 g/mol. Its IUPAC name is 6-chloroquinazoline-2,4-diamine.

Molecular Properties

Compound Name6-Chloroquinazoline-2,4-diamine
PubChem CID256219
Molecular FormulaC8H7ClN4
Molecular Weight194.62 g/mol
Exact Mass194.04
IUPAC Name6-chloroquinazoline-2,4-diamine
SMILESC1=CC2=C(C=C1Cl)C(=NC(=N2)N)N
InChIInChI=1S/C8H7ClN4/c9-4-1-2-6-5(3-4)7(10)13-8(11)12-6/h1-3H,(H4,10,11,12,13)
InChIKeyZMQPXDMCQOHVLV-UHFFFAOYSA-N
XLogP1.60
TPSA77.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity189

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-Chloroquinazoline-2,4-diamine?
The IUPAC name of 6-Chloroquinazoline-2,4-diamine (CID 256219) is 6-chloroquinazoline-2,4-diamine.
What is the SMILES notation for 6-Chloroquinazoline-2,4-diamine?
The canonical SMILES for 6-Chloroquinazoline-2,4-diamine is C1=CC2=C(C=C1Cl)C(=NC(=N2)N)N.
What is the InChIKey of 6-Chloroquinazoline-2,4-diamine?
The InChIKey is ZMQPXDMCQOHVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4/c9-4-1-2-6-5(3-4)7(10)13-8(11)12-6/h1-3H,(H4,10,11,12,13).
What are the key properties of 6-Chloroquinazoline-2,4-diamine?
6-Chloroquinazoline-2,4-diamine has a molecular weight of 194.62 g/mol, XLogP of 1.60, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-Chloroquinazoline-2,4-diamine is sourced from PubChem (CID 256219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).