4,6-dichloro-5-ethyl-2-pyridin-2-ylpyrimidine

C11H9Cl2N3 — CID 63613489

IUPAC4,6-dichloro-5-ethyl-2-pyridin-2-ylpyrimidine
SMILESCCc1c(Cl)nc(-c2ccccn2)nc1Cl
InChIInChI=1S/C11H9Cl2N3/c1-2-7-9(12)15-11(16-10(7)13)8-5-3-4-6-14-8/h3-6H,2H2,1H3
InChIKeyCVQCDBZZYRXKPB-UHFFFAOYSA-N
MW254.12 g/mol
LogP3.41
Rot. Bonds2

About 4,6-dichloro-5-ethyl-2-pyridin-2-ylpyrimidine

4,6-dichloro-5-ethyl-2-pyridin-2-ylpyrimidine (PubChem CID 63613489) has the molecular formula C11H9Cl2N3 and a molecular weight of 254.12 g/mol. Its IUPAC name is 4,6-dichloro-5-ethyl-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-ethyl-2-pyridin-2-ylpyrimidine
PubChem CID63613489
Molecular FormulaC11H9Cl2N3
Molecular Weight254.12 g/mol
Exact Mass253.02
IUPAC Name4,6-dichloro-5-ethyl-2-pyridin-2-ylpyrimidine
SMILESCCc1c(Cl)nc(-c2ccccn2)nc1Cl
InChIInChI=1S/C11H9Cl2N3/c1-2-7-9(12)15-11(16-10(7)13)8-5-3-4-6-14-8/h3-6H,2H2,1H3
InChIKeyCVQCDBZZYRXKPB-UHFFFAOYSA-N
XLogP3.41
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dichloro-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine
CID 86668904
CID 139150015
CID 139150015
4-chloro-2-pyridin-2-ylquinazoline
CID 930716
6-chloro-5-methyl-2-pyridin-2-ylpyrimidin-4-amine;ethane
CID 142506928
4,6-dichloro-5-(4-chlorophenyl)-2-pyridin-2-ylpyrimidine
CID 79432804
4-chloro-5-ethyl-6-methyl-2-pyrimidin-4-ylpyrimidine
CID 63985246
2-(4,6-dichloro-5-ethylpyrimidin-2-yl)-4-methylquinoline
CID 114754592
4-ethyl-6-pyridin-2-yl-1,3,5-triazin-2-amine
CID 63867593
propane;2-pyridin-2-ylpyridine
CID 158168510
(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)methanamine
CID 28916463
4,6-dichloro-5-cyclopentyl-2-pyridin-2-ylpyrimidine
CID 112569415
4,6-dichloro-5-(4-fluorophenyl)-2-pyridin-2-ylpyrimidine
CID 79431898

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-ethyl-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4,6-dichloro-5-ethyl-2-pyridin-2-ylpyrimidine (CID 63613489) is 4,6-dichloro-5-ethyl-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-ethyl-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-ethyl-2-pyridin-2-ylpyrimidine is CCc1c(Cl)nc(-c2ccccn2)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-ethyl-2-pyridin-2-ylpyrimidine?
The InChIKey is CVQCDBZZYRXKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3/c1-2-7-9(12)15-11(16-10(7)13)8-5-3-4-6-14-8/h3-6H,2H2,1H3.
What are the key properties of 4,6-dichloro-5-ethyl-2-pyridin-2-ylpyrimidine?
4,6-dichloro-5-ethyl-2-pyridin-2-ylpyrimidine has a molecular weight of 254.12 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-ethyl-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 63613489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).