2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-4-methyl-6-methylsulfonylpyrimidine

C14H14F2N4O3S — CID 172586028

IUPAC2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-4-methyl-6-methylsulfonylpyrimidine
SMILESCc1cc(S(C)(=O)=O)nc(-c2c(OC(F)F)ncnc2C2CC2)n1
InChIInChI=1S/C14H14F2N4O3S/c1-7-5-9(24(2,21)22)20-12(19-7)10-11(8-3-4-8)17-6-18-13(10)23-14(15)16/h5-6,8,14H,3-4H2,1-2H3
InChIKeyRYHSNCFXJVOKOS-UHFFFAOYSA-N
MW356.35 g/mol
LogP2.12
Rot. Bonds5

About 2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-4-methyl-6-methylsulfonylpyrimidine

2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-4-methyl-6-methylsulfonylpyrimidine (PubChem CID 172586028) has the molecular formula C14H14F2N4O3S and a molecular weight of 356.35 g/mol. Its IUPAC name is 2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-4-methyl-6-methylsulfonylpyrimidine.

Molecular Properties

Compound Name2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-4-methyl-6-methylsulfonylpyrimidine
PubChem CID172586028
Molecular FormulaC14H14F2N4O3S
Molecular Weight356.35 g/mol
Exact Mass356.08
IUPAC Name2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-4-methyl-6-methylsulfonylpyrimidine
SMILESCc1cc(S(C)(=O)=O)nc(-c2c(OC(F)F)ncnc2C2CC2)n1
InChIInChI=1S/C14H14F2N4O3S/c1-7-5-9(24(2,21)22)20-12(19-7)10-11(8-3-4-8)17-6-18-13(10)23-14(15)16/h5-6,8,14H,3-4H2,1-2H3
InChIKeyRYHSNCFXJVOKOS-UHFFFAOYSA-N
XLogP2.12
TPSA94.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-4-methyl-6-methylsulfonylpyrimidine?
The IUPAC name of 2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-4-methyl-6-methylsulfonylpyrimidine (CID 172586028) is 2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-4-methyl-6-methylsulfonylpyrimidine.
What is the SMILES notation for 2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-4-methyl-6-methylsulfonylpyrimidine?
The canonical SMILES for 2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-4-methyl-6-methylsulfonylpyrimidine is Cc1cc(S(C)(=O)=O)nc(-c2c(OC(F)F)ncnc2C2CC2)n1.
What is the InChIKey of 2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-4-methyl-6-methylsulfonylpyrimidine?
The InChIKey is RYHSNCFXJVOKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O3S/c1-7-5-9(24(2,21)22)20-12(19-7)10-11(8-3-4-8)17-6-18-13(10)23-14(15)16/h5-6,8,14H,3-4H2,1-2H3.
What are the key properties of 2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-4-methyl-6-methylsulfonylpyrimidine?
2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-4-methyl-6-methylsulfonylpyrimidine has a molecular weight of 356.35 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-4-methyl-6-methylsulfonylpyrimidine is sourced from PubChem (CID 172586028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).