4-chloro-2-cyclopropyloxypyrimidine

C7H7ClN2O — CID 130067625

IUPAC4-chloro-2-cyclopropyloxypyrimidine
SMILESClc1ccnc(OC2CC2)n1
InChIInChI=1S/C7H7ClN2O/c8-6-3-4-9-7(10-6)11-5-1-2-5/h3-5H,1-2H2
InChIKeyHXEXSBVSQJZNBF-UHFFFAOYSA-N
MW170.60 g/mol
LogP1.67
Rot. Bonds2

About 4-chloro-2-cyclopropyloxypyrimidine

4-chloro-2-cyclopropyloxypyrimidine (PubChem CID 130067625) has the molecular formula C7H7ClN2O and a molecular weight of 170.60 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyloxypyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyloxypyrimidine
PubChem CID130067625
Molecular FormulaC7H7ClN2O
Molecular Weight170.60 g/mol
Exact Mass170.02
IUPAC Name4-chloro-2-cyclopropyloxypyrimidine
SMILESClc1ccnc(OC2CC2)n1
InChIInChI=1S/C7H7ClN2O/c8-6-3-4-9-7(10-6)11-5-1-2-5/h3-5H,1-2H2
InChIKeyHXEXSBVSQJZNBF-UHFFFAOYSA-N
XLogP1.67
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.60
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-cycloheptyloxypyrimidine-4-carbonitrile
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4-chloro-2-(4-phenoxypiperidin-1-yl)pyrimidine
CID 176574621
2-cycloheptyloxypyrimidine-4-carbothioamide
CID 107548590
4-chloro-N-cyclohexylpyrimidin-2-amine
CID 87190061
[2-(3,4-dimethylcyclohexyl)oxypyrimidin-4-yl]methanamine
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyloxypyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyloxypyrimidine (CID 130067625) is 4-chloro-2-cyclopropyloxypyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyloxypyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyloxypyrimidine is Clc1ccnc(OC2CC2)n1.
What is the InChIKey of 4-chloro-2-cyclopropyloxypyrimidine?
The InChIKey is HXEXSBVSQJZNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O/c8-6-3-4-9-7(10-6)11-5-1-2-5/h3-5H,1-2H2.
What are the key properties of 4-chloro-2-cyclopropyloxypyrimidine?
4-chloro-2-cyclopropyloxypyrimidine has a molecular weight of 170.60 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyloxypyrimidine is sourced from PubChem (CID 130067625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).