(2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol

C14H21F2N3O3 — CID 174069397

About (2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol

(2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol (PubChem CID 174069397) has the molecular formula C14H21F2N3O3 and a molecular weight of 317.34 g/mol. Its IUPAC name is (2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol.

Molecular Properties

• Compound Name: (2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
• PubChem CID: 174069397
• Molecular Formula: C14H21F2N3O3
• Molecular Weight: 317.34 g/mol
• Exact Mass: 317.16
• IUPAC Name: (2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
• SMILES: C=C1N=C(N)C=CN1[C@@H]1O[C@H](COC(C)(C)C)[C@H](O)C1(F)F
• InChI: InChI=1S/C14H21F2N3O3/c1-8-18-10(17)5-6-19(8)12-14(15,16)11(20)9(22-12)7-21-13(2,3)4/h5-6,9,11-12,20H,1,7H2,2-4H3,(H2,17,18)/t9-,11+,12-/m1/s1
• InChIKey: FGHNTHSIGSTPBA-ADEWGFFLSA-N
• XLogP: 1.18
• TPSA: 80.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.34
LogP ≤ 5	1.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol?

The IUPAC name of (2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol (CID 174069397) is (2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol.

What is the SMILES notation for (2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol?

The canonical SMILES for (2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol is C=C1N=C(N)C=CN1[C@@H]1O[C@H](COC(C)(C)C)[C@H](O)C1(F)F.

What is the InChIKey of (2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol?

The InChIKey is FGHNTHSIGSTPBA-ADEWGFFLSA-N. The full InChI is InChI=1S/C14H21F2N3O3/c1-8-18-10(17)5-6-19(8)12-14(15,16)11(20)9(22-12)7-21-13(2,3)4/h5-6,9,11-12,20H,1,7H2,2-4H3,(H2,17,18)/t9-,11+,12-/m1/s1.

What are the key properties of (2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol?

(2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol has a molecular weight of 317.34 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol is sourced from PubChem (CID 174069397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).