4-chloro-5-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidine

C10H11ClF4N2O — CID 55228708

IUPAC4-chloro-5-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidine
SMILESCC(C)c1c(Cl)ncnc1OCC(F)(F)C(F)F
InChIInChI=1S/C10H11ClF4N2O/c1-5(2)6-7(11)16-4-17-8(6)18-3-10(14,15)9(12)13/h4-5,9H,3H2,1-2H3
InChIKeyMCNMTWCJEISLSM-UHFFFAOYSA-N
MW286.66 g/mol
LogP3.53
Rot. Bonds5

About 4-chloro-5-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidine

4-chloro-5-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidine (PubChem CID 55228708) has the molecular formula C10H11ClF4N2O and a molecular weight of 286.66 g/mol. Its IUPAC name is 4-chloro-5-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidine
PubChem CID55228708
Molecular FormulaC10H11ClF4N2O
Molecular Weight286.66 g/mol
Exact Mass286.05
IUPAC Name4-chloro-5-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidine
SMILESCC(C)c1c(Cl)ncnc1OCC(F)(F)C(F)F
InChIInChI=1S/C10H11ClF4N2O/c1-5(2)6-7(11)16-4-17-8(6)18-3-10(14,15)9(12)13/h4-5,9H,3H2,1-2H3
InChIKeyMCNMTWCJEISLSM-UHFFFAOYSA-N
XLogP3.53
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.66
LogP ≤ 53.53
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-5H,6H-furo[2,3-d]pyrimidine
CID 83668197
4-Chloro-2,6-dimethoxy-5-(2,2,2-trifluoro-ethyl)-pyrimidine
CID 58203543
4-Chloro-6-(2,2,3,4,4,4-hexafluorobutoxy)-5-methylpyrimidine
CID 87552747
4-Chloro-6-cyclopropylmethoxy-5-fluoro-pyrimidine
CID 117652303
4-Chloro-5-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidine
CID 138628386
4-Chloro-6-(2,2-difluoropropoxy)-5-methylpyrimidine
CID 158375600
4-Chloro-6-methoxy-5-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 164908395
4-Chloro-6-methoxy-5-(1,2,2-trifluoroethyl)pyrimidin-2-amine
CID 175471200
4-Chloro-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine
CID 63735179
4-Chloro-5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidine
CID 63735355
4-Chloro-5-propan-2-yl-6-(2,2,2-trifluoroethoxy)pyrimidine
CID 63735356
4-Chloro-5-ethyl-6-(2,2,2-trifluoroethoxy)pyrimidine
CID 63735358

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidine?
The IUPAC name of 4-chloro-5-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidine (CID 55228708) is 4-chloro-5-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidine.
What is the SMILES notation for 4-chloro-5-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidine?
The canonical SMILES for 4-chloro-5-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidine is CC(C)c1c(Cl)ncnc1OCC(F)(F)C(F)F.
What is the InChIKey of 4-chloro-5-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidine?
The InChIKey is MCNMTWCJEISLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF4N2O/c1-5(2)6-7(11)16-4-17-8(6)18-3-10(14,15)9(12)13/h4-5,9H,3H2,1-2H3.
What are the key properties of 4-chloro-5-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidine?
4-chloro-5-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidine has a molecular weight of 286.66 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidine is sourced from PubChem (CID 55228708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).