2,4-dichloro-5,6-dihydroquinazoline

C8H6Cl2N2 — CID 163543144

IUPAC2,4-dichloro-5,6-dihydroquinazoline
SMILESClc1nc(Cl)c2c(n1)C=CCC2
InChIInChI=1S/C8H6Cl2N2/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h2,4H,1,3H2
InChIKeyFCURQRCUVIGZKX-UHFFFAOYSA-N
MW201.06 g/mol
LogP2.74
Rot. Bonds

About 2,4-dichloro-5,6-dihydroquinazoline

2,4-dichloro-5,6-dihydroquinazoline (PubChem CID 163543144) has the molecular formula C8H6Cl2N2 and a molecular weight of 201.06 g/mol. Its IUPAC name is 2,4-dichloro-5,6-dihydroquinazoline.

Molecular Properties

Compound Name2,4-dichloro-5,6-dihydroquinazoline
PubChem CID163543144
Molecular FormulaC8H6Cl2N2
Molecular Weight201.06 g/mol
Exact Mass199.99
IUPAC Name2,4-dichloro-5,6-dihydroquinazoline
SMILESClc1nc(Cl)c2c(n1)C=CCC2
InChIInChI=1S/C8H6Cl2N2/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h2,4H,1,3H2
InChIKeyFCURQRCUVIGZKX-UHFFFAOYSA-N
XLogP2.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.06
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Chloro-5-[(4-chlorophenyl)methyl]-6-methyl-2-pyrimidinamine
CID 3154202
2,4-Dichloro-6-phenylpyrimidine
CID 241554
2,4,5-Trichloro-6-phenylpyrimidine
CID 243422
2,4-Dichloro-6-(4-fluorophenyl)pyrimidine
CID 11637322
2,4-Dichloro-5-methyl-6-phenylpyrimidine
CID 12685528
2,4-Dichloro-6-phenyl-5-(propan-2-yl)pyrimidine
CID 10825702
2,4-Dichloro-5,6,7,8-tetrahydroquinazoline
CID 12602864
2,4-Dichloro-5-(1-methylethyl)-6-(phenylmethyl)pyrimidine
CID 10826651
2,4-Dichloro-6-ethyl-5-propan-2-ylpyrimidine
CID 10513045
4-Benzyl-2,6-dichloro-5-ethylpyrimidine
CID 10683225
2,4-Dichloro-6-[(3,5-dimethylphenyl)methyl]-5-ethylpyrimidine
CID 10851371
4-Benzyl-2,5,6-trichloropyrimidine
CID 134987035

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5,6-dihydroquinazoline?
The IUPAC name of 2,4-dichloro-5,6-dihydroquinazoline (CID 163543144) is 2,4-dichloro-5,6-dihydroquinazoline.
What is the SMILES notation for 2,4-dichloro-5,6-dihydroquinazoline?
The canonical SMILES for 2,4-dichloro-5,6-dihydroquinazoline is Clc1nc(Cl)c2c(n1)C=CCC2.
What is the InChIKey of 2,4-dichloro-5,6-dihydroquinazoline?
The InChIKey is FCURQRCUVIGZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N2/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h2,4H,1,3H2.
What are the key properties of 2,4-dichloro-5,6-dihydroquinazoline?
2,4-dichloro-5,6-dihydroquinazoline has a molecular weight of 201.06 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5,6-dihydroquinazoline is sourced from PubChem (CID 163543144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).