4-(2,2-difluorocyclopropyl)-6-methoxypyrimidine

C8H8F2N2O — CID 164881445

IUPAC4-(2,2-difluorocyclopropyl)-6-methoxypyrimidine
SMILESCOc1cc(C2CC2(F)F)ncn1
InChIInChI=1S/C8H8F2N2O/c1-13-7-2-6(11-4-12-7)5-3-8(5,9)10/h2,4-5H,3H2,1H3
InChIKeyNPEUZRBKNDDLMT-UHFFFAOYSA-N
MW186.16 g/mol
LogP1.61
Rot. Bonds2

About 4-(2,2-difluorocyclopropyl)-6-methoxypyrimidine

4-(2,2-difluorocyclopropyl)-6-methoxypyrimidine (PubChem CID 164881445) has the molecular formula C8H8F2N2O and a molecular weight of 186.16 g/mol. Its IUPAC name is 4-(2,2-difluorocyclopropyl)-6-methoxypyrimidine.

Molecular Properties

Compound Name4-(2,2-difluorocyclopropyl)-6-methoxypyrimidine
PubChem CID164881445
Molecular FormulaC8H8F2N2O
Molecular Weight186.16 g/mol
Exact Mass186.06
IUPAC Name4-(2,2-difluorocyclopropyl)-6-methoxypyrimidine
SMILESCOc1cc(C2CC2(F)F)ncn1
InChIInChI=1S/C8H8F2N2O/c1-13-7-2-6(11-4-12-7)5-3-8(5,9)10/h2,4-5H,3H2,1H3
InChIKeyNPEUZRBKNDDLMT-UHFFFAOYSA-N
XLogP1.61
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluorocyclopropyl)-6-methoxypyrimidine?
The IUPAC name of 4-(2,2-difluorocyclopropyl)-6-methoxypyrimidine (CID 164881445) is 4-(2,2-difluorocyclopropyl)-6-methoxypyrimidine.
What is the SMILES notation for 4-(2,2-difluorocyclopropyl)-6-methoxypyrimidine?
The canonical SMILES for 4-(2,2-difluorocyclopropyl)-6-methoxypyrimidine is COc1cc(C2CC2(F)F)ncn1.
What is the InChIKey of 4-(2,2-difluorocyclopropyl)-6-methoxypyrimidine?
The InChIKey is NPEUZRBKNDDLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O/c1-13-7-2-6(11-4-12-7)5-3-8(5,9)10/h2,4-5H,3H2,1H3.
What are the key properties of 4-(2,2-difluorocyclopropyl)-6-methoxypyrimidine?
4-(2,2-difluorocyclopropyl)-6-methoxypyrimidine has a molecular weight of 186.16 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluorocyclopropyl)-6-methoxypyrimidine is sourced from PubChem (CID 164881445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).