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

C10H12ClFN2O — CID 79081816

IUPAC2-chloro-4-(cyclopentylmethoxy)-5-fluoropyrimidine
SMILESFc1cnc(Cl)nc1OCC1CCCC1
InChIInChI=1S/C10H12ClFN2O/c11-10-13-5-8(12)9(14-10)15-6-7-3-1-2-4-7/h5,7H,1-4,6H2
InChIKeyYFXZXBUYUREQLG-UHFFFAOYSA-N
MW230.67 g/mol
LogP2.84
Rot. Bonds3

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

2-chloro-4-(cyclopentylmethoxy)-5-fluoropyrimidine (PubChem CID 79081816) has the molecular formula C10H12ClFN2O and a molecular weight of 230.67 g/mol. Its IUPAC name is 2-chloro-4-(cyclopentylmethoxy)-5-fluoropyrimidine.

Molecular Properties

Compound Name2-chloro-4-(cyclopentylmethoxy)-5-fluoropyrimidine
PubChem CID79081816
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC Name2-chloro-4-(cyclopentylmethoxy)-5-fluoropyrimidine
SMILESFc1cnc(Cl)nc1OCC1CCCC1
InChIInChI=1S/C10H12ClFN2O/c11-10-13-5-8(12)9(14-10)15-6-7-3-1-2-4-7/h5,7H,1-4,6H2
InChIKeyYFXZXBUYUREQLG-UHFFFAOYSA-N
XLogP2.84
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(cyclopentylmethoxy)-5-fluoropyrimidine?
The IUPAC name of 2-chloro-4-(cyclopentylmethoxy)-5-fluoropyrimidine (CID 79081816) is 2-chloro-4-(cyclopentylmethoxy)-5-fluoropyrimidine.
What is the SMILES notation for 2-chloro-4-(cyclopentylmethoxy)-5-fluoropyrimidine?
The canonical SMILES for 2-chloro-4-(cyclopentylmethoxy)-5-fluoropyrimidine is Fc1cnc(Cl)nc1OCC1CCCC1.
What is the InChIKey of 2-chloro-4-(cyclopentylmethoxy)-5-fluoropyrimidine?
The InChIKey is YFXZXBUYUREQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O/c11-10-13-5-8(12)9(14-10)15-6-7-3-1-2-4-7/h5,7H,1-4,6H2.
What are the key properties of 2-chloro-4-(cyclopentylmethoxy)-5-fluoropyrimidine?
2-chloro-4-(cyclopentylmethoxy)-5-fluoropyrimidine has a molecular weight of 230.67 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(cyclopentylmethoxy)-5-fluoropyrimidine is sourced from PubChem (CID 79081816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).