(3S,4S)-4-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]piperidin-3-ol

C10H14F2N4O — CID 156511770

IUPAC(3S,4S)-4-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]piperidin-3-ol
SMILESO[C@@H]1CNCC[C@H]1CNc1ncnc(F)c1F
InChIInChI=1S/C10H14F2N4O/c11-8-9(12)15-5-16-10(8)14-3-6-1-2-13-4-7(6)17/h5-7,13,17H,1-4H2,(H,14,15,16)/t6-,7+/m0/s1
InChIKeyROTIMDLITDOASD-NKWVEPMBSA-N
MW244.24 g/mol
LogP0.14
Rot. Bonds3

About (3S,4S)-4-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]piperidin-3-ol

(3S,4S)-4-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]piperidin-3-ol (PubChem CID 156511770) has the molecular formula C10H14F2N4O and a molecular weight of 244.24 g/mol. Its IUPAC name is (3S,4S)-4-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]piperidin-3-ol
PubChem CID156511770
Molecular FormulaC10H14F2N4O
Molecular Weight244.24 g/mol
Exact Mass244.11
IUPAC Name(3S,4S)-4-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]piperidin-3-ol
SMILESO[C@@H]1CNCC[C@H]1CNc1ncnc(F)c1F
InChIInChI=1S/C10H14F2N4O/c11-8-9(12)15-5-16-10(8)14-3-6-1-2-13-4-7(6)17/h5-7,13,17H,1-4H2,(H,14,15,16)/t6-,7+/m0/s1
InChIKeyROTIMDLITDOASD-NKWVEPMBSA-N
XLogP0.14
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]piperidin-3-ol?
The IUPAC name of (3S,4S)-4-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]piperidin-3-ol (CID 156511770) is (3S,4S)-4-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]piperidin-3-ol.
What is the SMILES notation for (3S,4S)-4-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]piperidin-3-ol?
The canonical SMILES for (3S,4S)-4-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]piperidin-3-ol is O[C@@H]1CNCC[C@H]1CNc1ncnc(F)c1F.
What is the InChIKey of (3S,4S)-4-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]piperidin-3-ol?
The InChIKey is ROTIMDLITDOASD-NKWVEPMBSA-N. The full InChI is InChI=1S/C10H14F2N4O/c11-8-9(12)15-5-16-10(8)14-3-6-1-2-13-4-7(6)17/h5-7,13,17H,1-4H2,(H,14,15,16)/t6-,7+/m0/s1.
What are the key properties of (3S,4S)-4-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]piperidin-3-ol?
(3S,4S)-4-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]piperidin-3-ol has a molecular weight of 244.24 g/mol, XLogP of 0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]piperidin-3-ol is sourced from PubChem (CID 156511770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).