2-chloro-N-methyl-6,7-dihydroquinazolin-4-amine

C9H10ClN3 — CID 89468390

IUPAC2-chloro-N-methyl-6,7-dihydroquinazolin-4-amine
SMILESCNc1nc(Cl)nc2c1=CCCC=2
InChIInChI=1S/C9H10ClN3/c1-11-8-6-4-2-3-5-7(6)12-9(10)13-8/h4-5H,2-3H2,1H3,(H,11,12,13)
InChIKeySDGJDCHMNPLTPT-UHFFFAOYSA-N
MW195.65 g/mol
LogP0.53
Rot. Bonds1

About 2-chloro-N-methyl-6,7-dihydroquinazolin-4-amine

2-chloro-N-methyl-6,7-dihydroquinazolin-4-amine (PubChem CID 89468390) has the molecular formula C9H10ClN3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 2-chloro-N-methyl-6,7-dihydroquinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-6,7-dihydroquinazolin-4-amine
PubChem CID89468390
Molecular FormulaC9H10ClN3
Molecular Weight195.65 g/mol
Exact Mass195.06
IUPAC Name2-chloro-N-methyl-6,7-dihydroquinazolin-4-amine
SMILESCNc1nc(Cl)nc2c1=CCCC=2
InChIInChI=1S/C9H10ClN3/c1-11-8-6-4-2-3-5-7(6)12-9(10)13-8/h4-5H,2-3H2,1H3,(H,11,12,13)
InChIKeySDGJDCHMNPLTPT-UHFFFAOYSA-N
XLogP0.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-6,7-dihydroquinazolin-4-amine?
The IUPAC name of 2-chloro-N-methyl-6,7-dihydroquinazolin-4-amine (CID 89468390) is 2-chloro-N-methyl-6,7-dihydroquinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-methyl-6,7-dihydroquinazolin-4-amine?
The canonical SMILES for 2-chloro-N-methyl-6,7-dihydroquinazolin-4-amine is CNc1nc(Cl)nc2c1=CCCC=2.
What is the InChIKey of 2-chloro-N-methyl-6,7-dihydroquinazolin-4-amine?
The InChIKey is SDGJDCHMNPLTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3/c1-11-8-6-4-2-3-5-7(6)12-9(10)13-8/h4-5H,2-3H2,1H3,(H,11,12,13).
What are the key properties of 2-chloro-N-methyl-6,7-dihydroquinazolin-4-amine?
2-chloro-N-methyl-6,7-dihydroquinazolin-4-amine has a molecular weight of 195.65 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-6,7-dihydroquinazolin-4-amine is sourced from PubChem (CID 89468390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).