2-chloro-5-fluoro-4-(piperidin-4-ylmethoxy)pyrimidine

C10H13ClFN3O — CID 132891762

IUPAC2-chloro-5-fluoro-4-(piperidin-4-ylmethoxy)pyrimidine
SMILESFc1cnc(Cl)nc1OCC1CCNCC1
InChIInChI=1S/C10H13ClFN3O/c11-10-14-5-8(12)9(15-10)16-6-7-1-3-13-4-2-7/h5,7,13H,1-4,6H2
InChIKeyDCHOIADOUHMRAH-UHFFFAOYSA-N
MW245.68 g/mol
LogP1.65
Rot. Bonds3

About 2-chloro-5-fluoro-4-(piperidin-4-ylmethoxy)pyrimidine

2-chloro-5-fluoro-4-(piperidin-4-ylmethoxy)pyrimidine (PubChem CID 132891762) has the molecular formula C10H13ClFN3O and a molecular weight of 245.68 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(piperidin-4-ylmethoxy)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(piperidin-4-ylmethoxy)pyrimidine
PubChem CID132891762
Molecular FormulaC10H13ClFN3O
Molecular Weight245.68 g/mol
Exact Mass245.07
IUPAC Name2-chloro-5-fluoro-4-(piperidin-4-ylmethoxy)pyrimidine
SMILESFc1cnc(Cl)nc1OCC1CCNCC1
InChIInChI=1S/C10H13ClFN3O/c11-10-14-5-8(12)9(15-10)16-6-7-1-3-13-4-2-7/h5,7,13H,1-4,6H2
InChIKeyDCHOIADOUHMRAH-UHFFFAOYSA-N
XLogP1.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-(piperidin-4-ylmethoxy)pyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-(piperidin-4-ylmethoxy)pyrimidine (CID 132891762) is 2-chloro-5-fluoro-4-(piperidin-4-ylmethoxy)pyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(piperidin-4-ylmethoxy)pyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-(piperidin-4-ylmethoxy)pyrimidine is Fc1cnc(Cl)nc1OCC1CCNCC1.
What is the InChIKey of 2-chloro-5-fluoro-4-(piperidin-4-ylmethoxy)pyrimidine?
The InChIKey is DCHOIADOUHMRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN3O/c11-10-14-5-8(12)9(15-10)16-6-7-1-3-13-4-2-7/h5,7,13H,1-4,6H2.
What are the key properties of 2-chloro-5-fluoro-4-(piperidin-4-ylmethoxy)pyrimidine?
2-chloro-5-fluoro-4-(piperidin-4-ylmethoxy)pyrimidine has a molecular weight of 245.68 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-(piperidin-4-ylmethoxy)pyrimidine is sourced from PubChem (CID 132891762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).