2-chloro-4-(cyclopropylmethoxy)-5-fluoropyrimidine

C8H8ClFN2O — CID 79080493

IUPAC2-chloro-4-(cyclopropylmethoxy)-5-fluoropyrimidine
SMILESFc1cnc(Cl)nc1OCC1CC1
InChIInChI=1S/C8H8ClFN2O/c9-8-11-3-6(10)7(12-8)13-4-5-1-2-5/h3,5H,1-2,4H2
InChIKeyYDGIDYCIDSNWFN-UHFFFAOYSA-N
MW202.62 g/mol
LogP2.06
Rot. Bonds3

About 2-chloro-4-(cyclopropylmethoxy)-5-fluoropyrimidine

2-chloro-4-(cyclopropylmethoxy)-5-fluoropyrimidine (PubChem CID 79080493) has the molecular formula C8H8ClFN2O and a molecular weight of 202.62 g/mol. Its IUPAC name is 2-chloro-4-(cyclopropylmethoxy)-5-fluoropyrimidine.

Molecular Properties

Compound Name2-chloro-4-(cyclopropylmethoxy)-5-fluoropyrimidine
PubChem CID79080493
Molecular FormulaC8H8ClFN2O
Molecular Weight202.62 g/mol
Exact Mass202.03
IUPAC Name2-chloro-4-(cyclopropylmethoxy)-5-fluoropyrimidine
SMILESFc1cnc(Cl)nc1OCC1CC1
InChIInChI=1S/C8H8ClFN2O/c9-8-11-3-6(10)7(12-8)13-4-5-1-2-5/h3,5H,1-2,4H2
InChIKeyYDGIDYCIDSNWFN-UHFFFAOYSA-N
XLogP2.06
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.62
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-(cyclopropylmethoxy)-5-fluoropyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(cyclopropylmethoxy)-5-fluoropyrimidine?
The IUPAC name of 2-chloro-4-(cyclopropylmethoxy)-5-fluoropyrimidine (CID 79080493) is 2-chloro-4-(cyclopropylmethoxy)-5-fluoropyrimidine.
What is the SMILES notation for 2-chloro-4-(cyclopropylmethoxy)-5-fluoropyrimidine?
The canonical SMILES for 2-chloro-4-(cyclopropylmethoxy)-5-fluoropyrimidine is Fc1cnc(Cl)nc1OCC1CC1.
What is the InChIKey of 2-chloro-4-(cyclopropylmethoxy)-5-fluoropyrimidine?
The InChIKey is YDGIDYCIDSNWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFN2O/c9-8-11-3-6(10)7(12-8)13-4-5-1-2-5/h3,5H,1-2,4H2.
What are the key properties of 2-chloro-4-(cyclopropylmethoxy)-5-fluoropyrimidine?
2-chloro-4-(cyclopropylmethoxy)-5-fluoropyrimidine has a molecular weight of 202.62 g/mol, XLogP of 2.06, 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)-5-fluoropyrimidine is sourced from PubChem (CID 79080493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).