2-chloro-4-(2-methoxyethyl)pyrimidine

C7H9ClN2O — CID 135041586

IUPAC2-chloro-4-(2-methoxyethyl)pyrimidine
SMILESCOCCc1ccnc(Cl)n1
InChIInChI=1S/C7H9ClN2O/c1-11-5-3-6-2-4-9-7(8)10-6/h2,4H,3,5H2,1H3
InChIKeyNNJXVKHZTALNLX-UHFFFAOYSA-N
MW172.62 g/mol
LogP1.32
Rot. Bonds3

About 2-chloro-4-(2-methoxyethyl)pyrimidine

2-chloro-4-(2-methoxyethyl)pyrimidine (PubChem CID 135041586) has the molecular formula C7H9ClN2O and a molecular weight of 172.62 g/mol. Its IUPAC name is 2-chloro-4-(2-methoxyethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-methoxyethyl)pyrimidine
PubChem CID135041586
Molecular FormulaC7H9ClN2O
Molecular Weight172.62 g/mol
Exact Mass172.04
IUPAC Name2-chloro-4-(2-methoxyethyl)pyrimidine
SMILESCOCCc1ccnc(Cl)n1
InChIInChI=1S/C7H9ClN2O/c1-11-5-3-6-2-4-9-7(8)10-6/h2,4H,3,5H2,1H3
InChIKeyNNJXVKHZTALNLX-UHFFFAOYSA-N
XLogP1.32
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methoxyethyl)pyrimidine?
The IUPAC name of 2-chloro-4-(2-methoxyethyl)pyrimidine (CID 135041586) is 2-chloro-4-(2-methoxyethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(2-methoxyethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(2-methoxyethyl)pyrimidine is COCCc1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-4-(2-methoxyethyl)pyrimidine?
The InChIKey is NNJXVKHZTALNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O/c1-11-5-3-6-2-4-9-7(8)10-6/h2,4H,3,5H2,1H3.
What are the key properties of 2-chloro-4-(2-methoxyethyl)pyrimidine?
2-chloro-4-(2-methoxyethyl)pyrimidine has a molecular weight of 172.62 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methoxyethyl)pyrimidine is sourced from PubChem (CID 135041586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).