4-chloro-6-cyclopentyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine

C13H15ClF4N2O — CID 103473601

IUPAC4-chloro-6-cyclopentyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
SMILESFC(F)C(F)(F)COCc1nc(Cl)cc(C2CCCC2)n1
InChIInChI=1S/C13H15ClF4N2O/c14-10-5-9(8-3-1-2-4-8)19-11(20-10)6-21-7-13(17,18)12(15)16/h5,8,12H,1-4,6-7H2
InChIKeyKOGLUOGTDHBCOO-UHFFFAOYSA-N
MW326.72 g/mol
LogP4.20
Rot. Bonds6

About 4-chloro-6-cyclopentyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine

4-chloro-6-cyclopentyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine (PubChem CID 103473601) has the molecular formula C13H15ClF4N2O and a molecular weight of 326.72 g/mol. Its IUPAC name is 4-chloro-6-cyclopentyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopentyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
PubChem CID103473601
Molecular FormulaC13H15ClF4N2O
Molecular Weight326.72 g/mol
Exact Mass326.08
IUPAC Name4-chloro-6-cyclopentyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
SMILESFC(F)C(F)(F)COCc1nc(Cl)cc(C2CCCC2)n1
InChIInChI=1S/C13H15ClF4N2O/c14-10-5-9(8-3-1-2-4-8)19-11(20-10)6-21-7-13(17,18)12(15)16/h5,8,12H,1-4,6-7H2
InChIKeyKOGLUOGTDHBCOO-UHFFFAOYSA-N
XLogP4.20
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.72
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-(2,2,3,3-tetrafluoropropoxymethyl)-5,6,7,8-tetrahydroquinazoline
CID 103473539
4-chloro-5-iodo-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
CID 103473568
6-cyclopropyl-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine
CID 103476333
4-chloro-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
CID 103473589
4,6-dichloro-5-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
CID 103473554
4-piperidin-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
CID 103477119
4-chloro-2-cycloheptyl-6-cyclopentylpyrimidine
CID 113390255
2-(chloromethyl)-4-cyclopentyl-6-methylpyrimidine
CID 80656567
4-chloro-6-cyclopentyl-2-propan-2-ylpyrimidine
CID 112554769
4-chloro-6-cyclopentyl-2-(1-methoxypropan-2-yl)pyrimidine
CID 116502401
N-[[6-(2,2,3,3-tetrafluoropropoxymethyl)-2-pyridinyl]methyl]cyclopropanamine
CID 106907736
6-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-4-amine
CID 103150491

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopentyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine?
The IUPAC name of 4-chloro-6-cyclopentyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine (CID 103473601) is 4-chloro-6-cyclopentyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopentyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-cyclopentyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine is FC(F)C(F)(F)COCc1nc(Cl)cc(C2CCCC2)n1.
What is the InChIKey of 4-chloro-6-cyclopentyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine?
The InChIKey is KOGLUOGTDHBCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF4N2O/c14-10-5-9(8-3-1-2-4-8)19-11(20-10)6-21-7-13(17,18)12(15)16/h5,8,12H,1-4,6-7H2.
What are the key properties of 4-chloro-6-cyclopentyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine?
4-chloro-6-cyclopentyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine has a molecular weight of 326.72 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopentyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine is sourced from PubChem (CID 103473601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).