2-(azetidin-3-ylmethyl)-5-fluoropyrimidine

C8H10FN3 — CID 153394006

IUPAC2-(azetidin-3-ylmethyl)-5-fluoropyrimidine
SMILESFc1cnc(CC2CNC2)nc1
InChIInChI=1S/C8H10FN3/c9-7-4-11-8(12-5-7)1-6-2-10-3-6/h4-6,10H,1-3H2
InChIKeyWDSUEKATRUPOOV-UHFFFAOYSA-N
MW167.19 g/mol
LogP0.38
Rot. Bonds2

About 2-(azetidin-3-ylmethyl)-5-fluoropyrimidine

2-(azetidin-3-ylmethyl)-5-fluoropyrimidine (PubChem CID 153394006) has the molecular formula C8H10FN3 and a molecular weight of 167.19 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethyl)-5-fluoropyrimidine.

Molecular Properties

Compound Name2-(azetidin-3-ylmethyl)-5-fluoropyrimidine
PubChem CID153394006
Molecular FormulaC8H10FN3
Molecular Weight167.19 g/mol
Exact Mass167.09
IUPAC Name2-(azetidin-3-ylmethyl)-5-fluoropyrimidine
SMILESFc1cnc(CC2CNC2)nc1
InChIInChI=1S/C8H10FN3/c9-7-4-11-8(12-5-7)1-6-2-10-3-6/h4-6,10H,1-3H2
InChIKeyWDSUEKATRUPOOV-UHFFFAOYSA-N
XLogP0.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-(pyrrolidin-3-ylmethyl)pyrimidine;hydrochloride
CID 139490791
2-(azetidin-3-ylmethyl)-5-ethoxypyrimidine
CID 117231622
2-(azetidin-3-ylmethyl)-5-phenylmethoxypyrimidine
CID 117231356
6-fluoro-2-(pyrrolidin-3-ylmethyl)quinazoline
CID 105489460
2-(azetidin-3-yloxy)-5-fluoropyrimidine
CID 67958385
2-(cyclohexa-2,4-dien-1-ylmethyl)-5-fluoropyrimidine
CID 175959392
3-(azetidin-3-ylmethyl)-5-fluoroimidazo[1,5-a]pyridine
CID 105457237
5-fluoro-3-methyl-2-(pyrrolidin-3-ylmethyl)pyridine
CID 135135528
5-fluoro-2-[2-[(3R)-piperidin-3-yl]ethoxy]pyrimidine
CID 97165134
2-(azetidin-3-ylmethyl)-5-propan-2-yl-1H-imidazole
CID 105438389
3-[(2,6-difluorophenyl)methyl]azetidine;hydrochloride
CID 54596092
5-bromo-2-(cyclopropylmethyl)pyrimidine
CID 58368900

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethyl)-5-fluoropyrimidine?
The IUPAC name of 2-(azetidin-3-ylmethyl)-5-fluoropyrimidine (CID 153394006) is 2-(azetidin-3-ylmethyl)-5-fluoropyrimidine.
What is the SMILES notation for 2-(azetidin-3-ylmethyl)-5-fluoropyrimidine?
The canonical SMILES for 2-(azetidin-3-ylmethyl)-5-fluoropyrimidine is Fc1cnc(CC2CNC2)nc1.
What is the InChIKey of 2-(azetidin-3-ylmethyl)-5-fluoropyrimidine?
The InChIKey is WDSUEKATRUPOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3/c9-7-4-11-8(12-5-7)1-6-2-10-3-6/h4-6,10H,1-3H2.
What are the key properties of 2-(azetidin-3-ylmethyl)-5-fluoropyrimidine?
2-(azetidin-3-ylmethyl)-5-fluoropyrimidine has a molecular weight of 167.19 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethyl)-5-fluoropyrimidine is sourced from PubChem (CID 153394006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).