carbon dioxide;4-chloro-2-(4-chlorophenyl)-5-ethylpyrimidine

C13H10Cl2N2O2 — CID 159124020

IUPACcarbon dioxide;4-chloro-2-(4-chlorophenyl)-5-ethylpyrimidine
SMILESCCc1cnc(-c2ccc(Cl)cc2)nc1Cl.O=C=O
InChIInChI=1S/C12H10Cl2N2.CO2/c1-2-8-7-15-12(16-11(8)14)9-3-5-10(13)6-4-9;2-1-3/h3-7H,2H2,1H3;
InChIKeyKGBDRLHIMFBOQI-UHFFFAOYSA-N
MW297.14 g/mol
LogP3.43
Rot. Bonds2

About carbon dioxide;4-chloro-2-(4-chlorophenyl)-5-ethylpyrimidine

carbon dioxide;4-chloro-2-(4-chlorophenyl)-5-ethylpyrimidine (PubChem CID 159124020) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is carbon dioxide;4-chloro-2-(4-chlorophenyl)-5-ethylpyrimidine.

Molecular Properties

Compound Namecarbon dioxide;4-chloro-2-(4-chlorophenyl)-5-ethylpyrimidine
PubChem CID159124020
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Namecarbon dioxide;4-chloro-2-(4-chlorophenyl)-5-ethylpyrimidine
SMILESCCc1cnc(-c2ccc(Cl)cc2)nc1Cl.O=C=O
InChIInChI=1S/C12H10Cl2N2.CO2/c1-2-8-7-15-12(16-11(8)14)9-3-5-10(13)6-4-9;2-1-3/h3-7H,2H2,1H3;
InChIKeyKGBDRLHIMFBOQI-UHFFFAOYSA-N
XLogP3.43
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(4-chlorophenyl)-5-ethylpyrimidine
CID 88856160
2-(4-chlorophenyl)-5-ethyl-4-methylpyrimidine
CID 129051941
2-[4-chloro-2-(4-chlorophenyl)pyrimidin-5-yl]acetic acid
CID 117225382
methyl 4-chloro-2-(4-chlorophenyl)pyrimidine-5-carboxylate
CID 82169038
4-chloro-5-ethylpyrimidin-2-amine
CID 24903854
6-chloro-2-(4-chlorophenyl)quinazoline
CID 57333326
5-(bromomethyl)-2-(4-chlorophenyl)-4-(trifluoromethyl)pyrimidine
CID 114205628
2,5-bis(4-chlorophenyl)pyrimidine
CID 174829334
methyl 3-(4-chloro-2-phenylpyrimidin-5-yl)propanoate
CID 117225425
ethyl 4-chloro-2-(4-methylphenyl)pyrimidine-5-carboxylate
CID 82169020
2-(4-chlorophenyl)-5-iodo-N-propylpyrimidin-4-amine
CID 66302314
5-bromo-4-chloro-2-(4-ethoxyphenyl)pyrimidine
CID 66312090

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;4-chloro-2-(4-chlorophenyl)-5-ethylpyrimidine?
The IUPAC name of carbon dioxide;4-chloro-2-(4-chlorophenyl)-5-ethylpyrimidine (CID 159124020) is carbon dioxide;4-chloro-2-(4-chlorophenyl)-5-ethylpyrimidine.
What is the SMILES notation for carbon dioxide;4-chloro-2-(4-chlorophenyl)-5-ethylpyrimidine?
The canonical SMILES for carbon dioxide;4-chloro-2-(4-chlorophenyl)-5-ethylpyrimidine is CCc1cnc(-c2ccc(Cl)cc2)nc1Cl.O=C=O.
What is the InChIKey of carbon dioxide;4-chloro-2-(4-chlorophenyl)-5-ethylpyrimidine?
The InChIKey is KGBDRLHIMFBOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2.CO2/c1-2-8-7-15-12(16-11(8)14)9-3-5-10(13)6-4-9;2-1-3/h3-7H,2H2,1H3;.
What are the key properties of carbon dioxide;4-chloro-2-(4-chlorophenyl)-5-ethylpyrimidine?
carbon dioxide;4-chloro-2-(4-chlorophenyl)-5-ethylpyrimidine has a molecular weight of 297.14 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;4-chloro-2-(4-chlorophenyl)-5-ethylpyrimidine is sourced from PubChem (CID 159124020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).