4-cyclopropyl-6-(4,4-difluorocyclohexyl)oxypyrimidine

C13H16F2N2O — CID 126954443

IUPAC4-cyclopropyl-6-(4,4-difluorocyclohexyl)oxypyrimidine
SMILESFC1(F)CCC(Oc2cc(C3CC3)ncn2)CC1
InChIInChI=1S/C13H16F2N2O/c14-13(15)5-3-10(4-6-13)18-12-7-11(9-1-2-9)16-8-17-12/h7-10H,1-6H2
InChIKeyPUOZGULSUPKPNI-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.31
Rot. Bonds3

About 4-cyclopropyl-6-(4,4-difluorocyclohexyl)oxypyrimidine

4-cyclopropyl-6-(4,4-difluorocyclohexyl)oxypyrimidine (PubChem CID 126954443) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 4-cyclopropyl-6-(4,4-difluorocyclohexyl)oxypyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-6-(4,4-difluorocyclohexyl)oxypyrimidine
PubChem CID126954443
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name4-cyclopropyl-6-(4,4-difluorocyclohexyl)oxypyrimidine
SMILESFC1(F)CCC(Oc2cc(C3CC3)ncn2)CC1
InChIInChI=1S/C13H16F2N2O/c14-13(15)5-3-10(4-6-13)18-12-7-11(9-1-2-9)16-8-17-12/h7-10H,1-6H2
InChIKeyPUOZGULSUPKPNI-UHFFFAOYSA-N
XLogP3.31
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-(4,4-difluorocyclohexyl)oxypyrimidine?
The IUPAC name of 4-cyclopropyl-6-(4,4-difluorocyclohexyl)oxypyrimidine (CID 126954443) is 4-cyclopropyl-6-(4,4-difluorocyclohexyl)oxypyrimidine.
What is the SMILES notation for 4-cyclopropyl-6-(4,4-difluorocyclohexyl)oxypyrimidine?
The canonical SMILES for 4-cyclopropyl-6-(4,4-difluorocyclohexyl)oxypyrimidine is FC1(F)CCC(Oc2cc(C3CC3)ncn2)CC1.
What is the InChIKey of 4-cyclopropyl-6-(4,4-difluorocyclohexyl)oxypyrimidine?
The InChIKey is PUOZGULSUPKPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c14-13(15)5-3-10(4-6-13)18-12-7-11(9-1-2-9)16-8-17-12/h7-10H,1-6H2.
What are the key properties of 4-cyclopropyl-6-(4,4-difluorocyclohexyl)oxypyrimidine?
4-cyclopropyl-6-(4,4-difluorocyclohexyl)oxypyrimidine has a molecular weight of 254.28 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-(4,4-difluorocyclohexyl)oxypyrimidine is sourced from PubChem (CID 126954443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).