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

C10H8Cl2N4 — CID 63985423

IUPAC4,6-dichloro-5-ethyl-2-pyrimidin-4-ylpyrimidine
SMILESCCc1c(Cl)nc(-c2ccncn2)nc1Cl
InChIInChI=1S/C10H8Cl2N4/c1-2-6-8(11)15-10(16-9(6)12)7-3-4-13-5-14-7/h3-5H,2H2,1H3
InChIKeyXHKVZTMUEQBBHW-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.80
Rot. Bonds2

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

4,6-dichloro-5-ethyl-2-pyrimidin-4-ylpyrimidine (PubChem CID 63985423) has the molecular formula C10H8Cl2N4 and a molecular weight of 255.11 g/mol. Its IUPAC name is 4,6-dichloro-5-ethyl-2-pyrimidin-4-ylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-ethyl-2-pyrimidin-4-ylpyrimidine
PubChem CID63985423
Molecular FormulaC10H8Cl2N4
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name4,6-dichloro-5-ethyl-2-pyrimidin-4-ylpyrimidine
SMILESCCc1c(Cl)nc(-c2ccncn2)nc1Cl
InChIInChI=1S/C10H8Cl2N4/c1-2-6-8(11)15-10(16-9(6)12)7-3-4-13-5-14-7/h3-5H,2H2,1H3
InChIKeyXHKVZTMUEQBBHW-UHFFFAOYSA-N
XLogP2.80
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-ethyl-2-pyrimidin-4-ylpyrimidine?
The IUPAC name of 4,6-dichloro-5-ethyl-2-pyrimidin-4-ylpyrimidine (CID 63985423) is 4,6-dichloro-5-ethyl-2-pyrimidin-4-ylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-ethyl-2-pyrimidin-4-ylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-ethyl-2-pyrimidin-4-ylpyrimidine is CCc1c(Cl)nc(-c2ccncn2)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-ethyl-2-pyrimidin-4-ylpyrimidine?
The InChIKey is XHKVZTMUEQBBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4/c1-2-6-8(11)15-10(16-9(6)12)7-3-4-13-5-14-7/h3-5H,2H2,1H3.
What are the key properties of 4,6-dichloro-5-ethyl-2-pyrimidin-4-ylpyrimidine?
4,6-dichloro-5-ethyl-2-pyrimidin-4-ylpyrimidine has a molecular weight of 255.11 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-ethyl-2-pyrimidin-4-ylpyrimidine is sourced from PubChem (CID 63985423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).