2-chloro-5,6,7,8-tetrahydroquinazolin-4-amine

C8H10ClN3 — CID 10375110

IUPAC2-chloro-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESNc1nc(Cl)nc2c1CCCC2
InChIInChI=1S/C8H10ClN3/c9-8-11-6-4-2-1-3-5(6)7(10)12-8/h1-4H2,(H2,10,11,12)
InChIKeyFJKFSBRHRGKSGG-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.59
Rot. Bonds

About 2-chloro-5,6,7,8-tetrahydroquinazolin-4-amine

2-chloro-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 10375110) has the molecular formula C8H10ClN3 and a molecular weight of 183.64 g/mol. Its IUPAC name is 2-chloro-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID10375110
Molecular FormulaC8H10ClN3
Molecular Weight183.64 g/mol
Exact Mass183.06
IUPAC Name2-chloro-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESNc1nc(Cl)nc2c1CCCC2
InChIInChI=1S/C8H10ClN3/c9-8-11-6-4-2-1-3-5(6)7(10)12-8/h1-4H2,(H2,10,11,12)
InChIKeyFJKFSBRHRGKSGG-UHFFFAOYSA-N
XLogP1.59
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-chloro-5,6,7,8-tetrahydroquinazolin-4-amine (CID 10375110) is 2-chloro-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-chloro-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-chloro-5,6,7,8-tetrahydroquinazolin-4-amine is Nc1nc(Cl)nc2c1CCCC2.
What is the InChIKey of 2-chloro-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is FJKFSBRHRGKSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3/c9-8-11-6-4-2-1-3-5(6)7(10)12-8/h1-4H2,(H2,10,11,12).
What are the key properties of 2-chloro-5,6,7,8-tetrahydroquinazolin-4-amine?
2-chloro-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 183.64 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 10375110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).