1-[2-amino-6-(methylamino)pyrimidin-4-yl]-5,5-difluoropiperidin-3-ol

C10H15F2N5O — CID 122456428

IUPAC1-[2-amino-6-(methylamino)pyrimidin-4-yl]-5,5-difluoropiperidin-3-ol
SMILESCNc1cc(N2CC(O)CC(F)(F)C2)nc(N)n1
InChIInChI=1S/C10H15F2N5O/c1-14-7-2-8(16-9(13)15-7)17-4-6(18)3-10(11,12)5-17/h2,6,18H,3-5H2,1H3,(H3,13,14,15,16)
InChIKeyPGZGXFOQZYEODG-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.31
Rot. Bonds2

About 1-[2-amino-6-(methylamino)pyrimidin-4-yl]-5,5-difluoropiperidin-3-ol

1-[2-amino-6-(methylamino)pyrimidin-4-yl]-5,5-difluoropiperidin-3-ol (PubChem CID 122456428) has the molecular formula C10H15F2N5O and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-[2-amino-6-(methylamino)pyrimidin-4-yl]-5,5-difluoropiperidin-3-ol.

Molecular Properties

Compound Name1-[2-amino-6-(methylamino)pyrimidin-4-yl]-5,5-difluoropiperidin-3-ol
PubChem CID122456428
Molecular FormulaC10H15F2N5O
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name1-[2-amino-6-(methylamino)pyrimidin-4-yl]-5,5-difluoropiperidin-3-ol
SMILESCNc1cc(N2CC(O)CC(F)(F)C2)nc(N)n1
InChIInChI=1S/C10H15F2N5O/c1-14-7-2-8(16-9(13)15-7)17-4-6(18)3-10(11,12)5-17/h2,6,18H,3-5H2,1H3,(H3,13,14,15,16)
InChIKeyPGZGXFOQZYEODG-UHFFFAOYSA-N
XLogP0.31
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-6-(methylamino)pyrimidin-4-yl]-5,5-difluoropiperidin-3-ol?
The IUPAC name of 1-[2-amino-6-(methylamino)pyrimidin-4-yl]-5,5-difluoropiperidin-3-ol (CID 122456428) is 1-[2-amino-6-(methylamino)pyrimidin-4-yl]-5,5-difluoropiperidin-3-ol.
What is the SMILES notation for 1-[2-amino-6-(methylamino)pyrimidin-4-yl]-5,5-difluoropiperidin-3-ol?
The canonical SMILES for 1-[2-amino-6-(methylamino)pyrimidin-4-yl]-5,5-difluoropiperidin-3-ol is CNc1cc(N2CC(O)CC(F)(F)C2)nc(N)n1.
What is the InChIKey of 1-[2-amino-6-(methylamino)pyrimidin-4-yl]-5,5-difluoropiperidin-3-ol?
The InChIKey is PGZGXFOQZYEODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N5O/c1-14-7-2-8(16-9(13)15-7)17-4-6(18)3-10(11,12)5-17/h2,6,18H,3-5H2,1H3,(H3,13,14,15,16).
What are the key properties of 1-[2-amino-6-(methylamino)pyrimidin-4-yl]-5,5-difluoropiperidin-3-ol?
1-[2-amino-6-(methylamino)pyrimidin-4-yl]-5,5-difluoropiperidin-3-ol has a molecular weight of 259.26 g/mol, XLogP of 0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-6-(methylamino)pyrimidin-4-yl]-5,5-difluoropiperidin-3-ol is sourced from PubChem (CID 122456428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).