2-(4,6-dichloropyrimidin-2-yl)quinazoline

C12H6Cl2N4 — CID 164863215

IUPAC2-(4,6-dichloropyrimidin-2-yl)quinazoline
SMILESClc1cc(Cl)nc(-c2ncc3ccccc3n2)n1
InChIInChI=1S/C12H6Cl2N4/c13-9-5-10(14)18-12(17-9)11-15-6-7-3-1-2-4-8(7)16-11/h1-6H
InChIKeyANUPZJZJILBABN-UHFFFAOYSA-N
MW277.11 g/mol
LogP3.39
Rot. Bonds1

About 2-(4,6-dichloropyrimidin-2-yl)quinazoline

2-(4,6-dichloropyrimidin-2-yl)quinazoline (PubChem CID 164863215) has the molecular formula C12H6Cl2N4 and a molecular weight of 277.11 g/mol. Its IUPAC name is 2-(4,6-dichloropyrimidin-2-yl)quinazoline.

Molecular Properties

Compound Name2-(4,6-dichloropyrimidin-2-yl)quinazoline
PubChem CID164863215
Molecular FormulaC12H6Cl2N4
Molecular Weight277.11 g/mol
Exact Mass276.00
IUPAC Name2-(4,6-dichloropyrimidin-2-yl)quinazoline
SMILESClc1cc(Cl)nc(-c2ncc3ccccc3n2)n1
InChIInChI=1S/C12H6Cl2N4/c13-9-5-10(14)18-12(17-9)11-15-6-7-3-1-2-4-8(7)16-11/h1-6H
InChIKeyANUPZJZJILBABN-UHFFFAOYSA-N
XLogP3.39
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylquinazoline
CID 158733567
2-(1H-indol-2-yl)quinazoline
CID 68890263
5-quinazolin-2-ylpyrimidin-2-amine
CID 154196702
2-methylquinazoline;platinum
CID 140601163
2-[3-(2-phenylpropan-2-yl)phenyl]quinazoline
CID 140676068
2-phenylquinazoline;1H-pyrrole
CID 162097748
2-(1H-imidazol-5-yl)quinazoline
CID 91268038
2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]quinazoline
CID 67689010
2-[6-[(2,6-dichlorophenyl)methyl]-2-pyridinyl]quinazoline
CID 67688992
2-quinoxalin-5-ylquinazoline
CID 91555305
1-quinazolin-2-ylphthalazine
CID 57181955
2-[2-(trifluoromethyl)phenyl]quinazoline
CID 67571901

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dichloropyrimidin-2-yl)quinazoline?
The IUPAC name of 2-(4,6-dichloropyrimidin-2-yl)quinazoline (CID 164863215) is 2-(4,6-dichloropyrimidin-2-yl)quinazoline.
What is the SMILES notation for 2-(4,6-dichloropyrimidin-2-yl)quinazoline?
The canonical SMILES for 2-(4,6-dichloropyrimidin-2-yl)quinazoline is Clc1cc(Cl)nc(-c2ncc3ccccc3n2)n1.
What is the InChIKey of 2-(4,6-dichloropyrimidin-2-yl)quinazoline?
The InChIKey is ANUPZJZJILBABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N4/c13-9-5-10(14)18-12(17-9)11-15-6-7-3-1-2-4-8(7)16-11/h1-6H.
What are the key properties of 2-(4,6-dichloropyrimidin-2-yl)quinazoline?
2-(4,6-dichloropyrimidin-2-yl)quinazoline has a molecular weight of 277.11 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dichloropyrimidin-2-yl)quinazoline is sourced from PubChem (CID 164863215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).