4-chloro-5,6-dihydroquinazolin-6-amine

C8H8ClN3 — CID 163781078

IUPAC4-chloro-5,6-dihydroquinazolin-6-amine
SMILESNC1C=Cc2ncnc(Cl)c2C1
InChIInChI=1S/C8H8ClN3/c9-8-6-3-5(10)1-2-7(6)11-4-12-8/h1-2,4-5H,3,10H2
InChIKeyMOQBCHDGMFLFKY-UHFFFAOYSA-N
MW181.63 g/mol
LogP1.03
Rot. Bonds

About 4-chloro-5,6-dihydroquinazolin-6-amine

4-chloro-5,6-dihydroquinazolin-6-amine (PubChem CID 163781078) has the molecular formula C8H8ClN3 and a molecular weight of 181.63 g/mol. Its IUPAC name is 4-chloro-5,6-dihydroquinazolin-6-amine.

Molecular Properties

Compound Name4-chloro-5,6-dihydroquinazolin-6-amine
PubChem CID163781078
Molecular FormulaC8H8ClN3
Molecular Weight181.63 g/mol
Exact Mass181.04
IUPAC Name4-chloro-5,6-dihydroquinazolin-6-amine
SMILESNC1C=Cc2ncnc(Cl)c2C1
InChIInChI=1S/C8H8ClN3/c9-8-6-3-5(10)1-2-7(6)11-4-12-8/h1-2,4-5H,3,10H2
InChIKeyMOQBCHDGMFLFKY-UHFFFAOYSA-N
XLogP1.03
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.63
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Benzyl-4-chloro-5,6,7,8-tetrahydropyrido(4,3-d)pyrimidine
CID 25324046
N-benzyl-4-chloro-6-methylpyrimidin-2-amine
CID 697222
4-Chloro-6-methyl-5-phenylpyrimidine
CID 117869466
4-Benzyl-6-chloropyrimidine
CID 22599714
Quinazolin-5-imine
CID 129718694
5-chloro-6-(1-fluoroethyl)-N-(2-phenylethyl)pyrimidin-4-amine
CID 10923936
5-chloro-6-(1-fluoroethyl)-N-[(1S)-1-phenylethyl]pyrimidin-4-amine
CID 11312012
N-benzyl-5-chloro-6-(1-fluoroethyl)pyrimidin-4-amine
CID 19103998
5-chloro-6-(1-fluoroethyl)-N-(1-phenylpropyl)pyrimidin-4-amine
CID 19103999
5-chloro-6-(1-fluoroethyl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 19104004
5-chloro-6-[(1R)-1-fluoroethyl]-N-[(1S)-1-phenylethyl]pyrimidin-4-amine
CID 70012308
5-chloro-6-[(1S)-1-fluoroethyl]-N-[(1S)-1-phenylethyl]pyrimidin-4-amine
CID 70012309

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,6-dihydroquinazolin-6-amine?
The IUPAC name of 4-chloro-5,6-dihydroquinazolin-6-amine (CID 163781078) is 4-chloro-5,6-dihydroquinazolin-6-amine.
What is the SMILES notation for 4-chloro-5,6-dihydroquinazolin-6-amine?
The canonical SMILES for 4-chloro-5,6-dihydroquinazolin-6-amine is NC1C=Cc2ncnc(Cl)c2C1.
What is the InChIKey of 4-chloro-5,6-dihydroquinazolin-6-amine?
The InChIKey is MOQBCHDGMFLFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3/c9-8-6-3-5(10)1-2-7(6)11-4-12-8/h1-2,4-5H,3,10H2.
What are the key properties of 4-chloro-5,6-dihydroquinazolin-6-amine?
4-chloro-5,6-dihydroquinazolin-6-amine has a molecular weight of 181.63 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,6-dihydroquinazolin-6-amine is sourced from PubChem (CID 163781078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).