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

C10H15F2N5O — CID 122456427

IUPAC(3R)-1-[2-amino-6-(methylamino)pyrimidin-4-yl]-5,5-difluoropiperidin-3-ol
SMILESCNc1cc(N2C[C@H](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)/t6-/m1/s1
InChIKeyPGZGXFOQZYEODG-ZCFIWIBFSA-N
MW259.26 g/mol
LogP0.31
Rot. Bonds2

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

(3R)-1-[2-amino-6-(methylamino)pyrimidin-4-yl]-5,5-difluoropiperidin-3-ol (PubChem CID 122456427) has the molecular formula C10H15F2N5O and a molecular weight of 259.26 g/mol. Its IUPAC name is (3R)-1-[2-amino-6-(methylamino)pyrimidin-4-yl]-5,5-difluoropiperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[2-amino-6-(methylamino)pyrimidin-4-yl]-5,5-difluoropiperidin-3-ol
PubChem CID122456427
Molecular FormulaC10H15F2N5O
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name(3R)-1-[2-amino-6-(methylamino)pyrimidin-4-yl]-5,5-difluoropiperidin-3-ol
SMILESCNc1cc(N2C[C@H](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)/t6-/m1/s1
InChIKeyPGZGXFOQZYEODG-ZCFIWIBFSA-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 (3R)-1-[2-amino-6-(methylamino)pyrimidin-4-yl]-5,5-difluoropiperidin-3-ol?
The IUPAC name of (3R)-1-[2-amino-6-(methylamino)pyrimidin-4-yl]-5,5-difluoropiperidin-3-ol (CID 122456427) is (3R)-1-[2-amino-6-(methylamino)pyrimidin-4-yl]-5,5-difluoropiperidin-3-ol.
What is the SMILES notation for (3R)-1-[2-amino-6-(methylamino)pyrimidin-4-yl]-5,5-difluoropiperidin-3-ol?
The canonical SMILES for (3R)-1-[2-amino-6-(methylamino)pyrimidin-4-yl]-5,5-difluoropiperidin-3-ol is CNc1cc(N2C[C@H](O)CC(F)(F)C2)nc(N)n1.
What is the InChIKey of (3R)-1-[2-amino-6-(methylamino)pyrimidin-4-yl]-5,5-difluoropiperidin-3-ol?
The InChIKey is PGZGXFOQZYEODG-ZCFIWIBFSA-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)/t6-/m1/s1.
What are the key properties of (3R)-1-[2-amino-6-(methylamino)pyrimidin-4-yl]-5,5-difluoropiperidin-3-ol?
(3R)-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 (3R)-1-[2-amino-6-(methylamino)pyrimidin-4-yl]-5,5-difluoropiperidin-3-ol is sourced from PubChem (CID 122456427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).