[(3R,4R,5R)-3-amino-5-[(5,6-dimethylpyrimidin-4-yl)amino]-4-fluorooxolan-2-yl]methanol

C11H17FN4O2 — CID 156571211

IUPAC[(3R,4R,5R)-3-amino-5-[(5,6-dimethylpyrimidin-4-yl)amino]-4-fluorooxolan-2-yl]methanol
SMILESCc1ncnc(N[C@@H]2OC(CO)[C@@H](N)[C@H]2F)c1C
InChIInChI=1S/C11H17FN4O2/c1-5-6(2)14-4-15-10(5)16-11-8(12)9(13)7(3-17)18-11/h4,7-9,11,17H,3,13H2,1-2H3,(H,14,15,16)/t7?,8-,9-,11-/m1/s1
InChIKeyKMNXMNBJJDMUJT-ILFLCMMHSA-N
MW256.28 g/mol
LogP-0.11
Rot. Bonds3

About [(3R,4R,5R)-3-amino-5-[(5,6-dimethylpyrimidin-4-yl)amino]-4-fluorooxolan-2-yl]methanol

[(3R,4R,5R)-3-amino-5-[(5,6-dimethylpyrimidin-4-yl)amino]-4-fluorooxolan-2-yl]methanol (PubChem CID 156571211) has the molecular formula C11H17FN4O2 and a molecular weight of 256.28 g/mol. Its IUPAC name is [(3R,4R,5R)-3-amino-5-[(5,6-dimethylpyrimidin-4-yl)amino]-4-fluorooxolan-2-yl]methanol.

Molecular Properties

Compound Name[(3R,4R,5R)-3-amino-5-[(5,6-dimethylpyrimidin-4-yl)amino]-4-fluorooxolan-2-yl]methanol
PubChem CID156571211
Molecular FormulaC11H17FN4O2
Molecular Weight256.28 g/mol
Exact Mass256.13
IUPAC Name[(3R,4R,5R)-3-amino-5-[(5,6-dimethylpyrimidin-4-yl)amino]-4-fluorooxolan-2-yl]methanol
SMILESCc1ncnc(N[C@@H]2OC(CO)[C@@H](N)[C@H]2F)c1C
InChIInChI=1S/C11H17FN4O2/c1-5-6(2)14-4-15-10(5)16-11-8(12)9(13)7(3-17)18-11/h4,7-9,11,17H,3,13H2,1-2H3,(H,14,15,16)/t7?,8-,9-,11-/m1/s1
InChIKeyKMNXMNBJJDMUJT-ILFLCMMHSA-N
XLogP-0.11
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R,5R)-3-amino-5-[(5,6-dimethylpyrimidin-4-yl)amino]-4-fluorooxolan-2-yl]methanol?
The IUPAC name of [(3R,4R,5R)-3-amino-5-[(5,6-dimethylpyrimidin-4-yl)amino]-4-fluorooxolan-2-yl]methanol (CID 156571211) is [(3R,4R,5R)-3-amino-5-[(5,6-dimethylpyrimidin-4-yl)amino]-4-fluorooxolan-2-yl]methanol.
What is the SMILES notation for [(3R,4R,5R)-3-amino-5-[(5,6-dimethylpyrimidin-4-yl)amino]-4-fluorooxolan-2-yl]methanol?
The canonical SMILES for [(3R,4R,5R)-3-amino-5-[(5,6-dimethylpyrimidin-4-yl)amino]-4-fluorooxolan-2-yl]methanol is Cc1ncnc(N[C@@H]2OC(CO)[C@@H](N)[C@H]2F)c1C.
What is the InChIKey of [(3R,4R,5R)-3-amino-5-[(5,6-dimethylpyrimidin-4-yl)amino]-4-fluorooxolan-2-yl]methanol?
The InChIKey is KMNXMNBJJDMUJT-ILFLCMMHSA-N. The full InChI is InChI=1S/C11H17FN4O2/c1-5-6(2)14-4-15-10(5)16-11-8(12)9(13)7(3-17)18-11/h4,7-9,11,17H,3,13H2,1-2H3,(H,14,15,16)/t7?,8-,9-,11-/m1/s1.
What are the key properties of [(3R,4R,5R)-3-amino-5-[(5,6-dimethylpyrimidin-4-yl)amino]-4-fluorooxolan-2-yl]methanol?
[(3R,4R,5R)-3-amino-5-[(5,6-dimethylpyrimidin-4-yl)amino]-4-fluorooxolan-2-yl]methanol has a molecular weight of 256.28 g/mol, XLogP of -0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R,5R)-3-amino-5-[(5,6-dimethylpyrimidin-4-yl)amino]-4-fluorooxolan-2-yl]methanol is sourced from PubChem (CID 156571211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).