2-chloro-4-(cyclopropylmethoxy)pyrimidine

C8H9ClN2O — CID 62338129

IUPAC2-chloro-4-(cyclopropylmethoxy)pyrimidine
SMILESClc1nccc(OCC2CC2)n1
InChIInChI=1S/C8H9ClN2O/c9-8-10-4-3-7(11-8)12-5-6-1-2-6/h3-4,6H,1-2,5H2
InChIKeyFCBUPMUOLFQEBM-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.92
Rot. Bonds3

About 2-chloro-4-(cyclopropylmethoxy)pyrimidine

2-chloro-4-(cyclopropylmethoxy)pyrimidine (PubChem CID 62338129) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 2-chloro-4-(cyclopropylmethoxy)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(cyclopropylmethoxy)pyrimidine
PubChem CID62338129
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name2-chloro-4-(cyclopropylmethoxy)pyrimidine
SMILESClc1nccc(OCC2CC2)n1
InChIInChI=1S/C8H9ClN2O/c9-8-10-4-3-7(11-8)12-5-6-1-2-6/h3-4,6H,1-2,5H2
InChIKeyFCBUPMUOLFQEBM-UHFFFAOYSA-N
XLogP1.92
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(cyclopropylmethoxy)pyrimidine?
The IUPAC name of 2-chloro-4-(cyclopropylmethoxy)pyrimidine (CID 62338129) is 2-chloro-4-(cyclopropylmethoxy)pyrimidine.
What is the SMILES notation for 2-chloro-4-(cyclopropylmethoxy)pyrimidine?
The canonical SMILES for 2-chloro-4-(cyclopropylmethoxy)pyrimidine is Clc1nccc(OCC2CC2)n1.
What is the InChIKey of 2-chloro-4-(cyclopropylmethoxy)pyrimidine?
The InChIKey is FCBUPMUOLFQEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c9-8-10-4-3-7(11-8)12-5-6-1-2-6/h3-4,6H,1-2,5H2.
What are the key properties of 2-chloro-4-(cyclopropylmethoxy)pyrimidine?
2-chloro-4-(cyclopropylmethoxy)pyrimidine has a molecular weight of 184.63 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(cyclopropylmethoxy)pyrimidine is sourced from PubChem (CID 62338129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).