4-chloro-5-ethyl-6-methyl-2-pyrimidin-4-ylpyrimidine

C11H11ClN4 — CID 63985246

IUPAC4-chloro-5-ethyl-6-methyl-2-pyrimidin-4-ylpyrimidine
SMILESCCc1c(C)nc(-c2ccncn2)nc1Cl
InChIInChI=1S/C11H11ClN4/c1-3-8-7(2)15-11(16-10(8)12)9-4-5-13-6-14-9/h4-6H,3H2,1-2H3
InChIKeyPSFDVPJPTVEEQN-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.46
Rot. Bonds2

About 4-chloro-5-ethyl-6-methyl-2-pyrimidin-4-ylpyrimidine

4-chloro-5-ethyl-6-methyl-2-pyrimidin-4-ylpyrimidine (PubChem CID 63985246) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 4-chloro-5-ethyl-6-methyl-2-pyrimidin-4-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-6-methyl-2-pyrimidin-4-ylpyrimidine
PubChem CID63985246
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name4-chloro-5-ethyl-6-methyl-2-pyrimidin-4-ylpyrimidine
SMILESCCc1c(C)nc(-c2ccncn2)nc1Cl
InChIInChI=1S/C11H11ClN4/c1-3-8-7(2)15-11(16-10(8)12)9-4-5-13-6-14-9/h4-6H,3H2,1-2H3
InChIKeyPSFDVPJPTVEEQN-UHFFFAOYSA-N
XLogP2.46
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-6-methyl-2-pyrimidin-4-ylpyrimidine?
The IUPAC name of 4-chloro-5-ethyl-6-methyl-2-pyrimidin-4-ylpyrimidine (CID 63985246) is 4-chloro-5-ethyl-6-methyl-2-pyrimidin-4-ylpyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-6-methyl-2-pyrimidin-4-ylpyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-6-methyl-2-pyrimidin-4-ylpyrimidine is CCc1c(C)nc(-c2ccncn2)nc1Cl.
What is the InChIKey of 4-chloro-5-ethyl-6-methyl-2-pyrimidin-4-ylpyrimidine?
The InChIKey is PSFDVPJPTVEEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c1-3-8-7(2)15-11(16-10(8)12)9-4-5-13-6-14-9/h4-6H,3H2,1-2H3.
What are the key properties of 4-chloro-5-ethyl-6-methyl-2-pyrimidin-4-ylpyrimidine?
4-chloro-5-ethyl-6-methyl-2-pyrimidin-4-ylpyrimidine has a molecular weight of 234.69 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-6-methyl-2-pyrimidin-4-ylpyrimidine is sourced from PubChem (CID 63985246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).