5-chloro-4-[1-(5-chloro-6-ethylpyrimidin-4-yl)ethyl]-6-ethylpyrimidine

C14H16Cl2N4 — CID 70828615

IUPAC5-chloro-4-[1-(5-chloro-6-ethylpyrimidin-4-yl)ethyl]-6-ethylpyrimidine
SMILESCCc1ncnc(C(C)c2ncnc(CC)c2Cl)c1Cl
InChIInChI=1S/C14H16Cl2N4/c1-4-9-11(15)13(19-6-17-9)8(3)14-12(16)10(5-2)18-7-20-14/h6-8H,4-5H2,1-3H3
InChIKeyNRSFJNSYKUSFOI-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.85
Rot. Bonds4

About 5-chloro-4-[1-(5-chloro-6-ethylpyrimidin-4-yl)ethyl]-6-ethylpyrimidine

5-chloro-4-[1-(5-chloro-6-ethylpyrimidin-4-yl)ethyl]-6-ethylpyrimidine (PubChem CID 70828615) has the molecular formula C14H16Cl2N4 and a molecular weight of 311.22 g/mol. Its IUPAC name is 5-chloro-4-[1-(5-chloro-6-ethylpyrimidin-4-yl)ethyl]-6-ethylpyrimidine.

Molecular Properties

Compound Name5-chloro-4-[1-(5-chloro-6-ethylpyrimidin-4-yl)ethyl]-6-ethylpyrimidine
PubChem CID70828615
Molecular FormulaC14H16Cl2N4
Molecular Weight311.22 g/mol
Exact Mass310.08
IUPAC Name5-chloro-4-[1-(5-chloro-6-ethylpyrimidin-4-yl)ethyl]-6-ethylpyrimidine
SMILESCCc1ncnc(C(C)c2ncnc(CC)c2Cl)c1Cl
InChIInChI=1S/C14H16Cl2N4/c1-4-9-11(15)13(19-6-17-9)8(3)14-12(16)10(5-2)18-7-20-14/h6-8H,4-5H2,1-3H3
InChIKeyNRSFJNSYKUSFOI-UHFFFAOYSA-N
XLogP3.85
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[1-(5-chloro-6-ethylpyrimidin-4-yl)ethyl]-6-ethylpyrimidine?
The IUPAC name of 5-chloro-4-[1-(5-chloro-6-ethylpyrimidin-4-yl)ethyl]-6-ethylpyrimidine (CID 70828615) is 5-chloro-4-[1-(5-chloro-6-ethylpyrimidin-4-yl)ethyl]-6-ethylpyrimidine.
What is the SMILES notation for 5-chloro-4-[1-(5-chloro-6-ethylpyrimidin-4-yl)ethyl]-6-ethylpyrimidine?
The canonical SMILES for 5-chloro-4-[1-(5-chloro-6-ethylpyrimidin-4-yl)ethyl]-6-ethylpyrimidine is CCc1ncnc(C(C)c2ncnc(CC)c2Cl)c1Cl.
What is the InChIKey of 5-chloro-4-[1-(5-chloro-6-ethylpyrimidin-4-yl)ethyl]-6-ethylpyrimidine?
The InChIKey is NRSFJNSYKUSFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4/c1-4-9-11(15)13(19-6-17-9)8(3)14-12(16)10(5-2)18-7-20-14/h6-8H,4-5H2,1-3H3.
What are the key properties of 5-chloro-4-[1-(5-chloro-6-ethylpyrimidin-4-yl)ethyl]-6-ethylpyrimidine?
5-chloro-4-[1-(5-chloro-6-ethylpyrimidin-4-yl)ethyl]-6-ethylpyrimidine has a molecular weight of 311.22 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[1-(5-chloro-6-ethylpyrimidin-4-yl)ethyl]-6-ethylpyrimidine is sourced from PubChem (CID 70828615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).