[5-fluoro-2-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-4-pyridinyl]methanol

C16H20FN5O2 — CID 154771906

IUPAC[5-fluoro-2-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-4-pyridinyl]methanol
SMILESCO[C@@H]1C[C@H](CNc2cc(CO)c(F)cn2)N(c2ccncn2)C1
InChIInChI=1S/C16H20FN5O2/c1-24-13-5-12(22(8-13)16-2-3-18-10-21-16)6-19-15-4-11(9-23)14(17)7-20-15/h2-4,7,10,12-13,23H,5-6,8-9H2,1H3,(H,19,20)/t12-,13-/m1/s1
InChIKeyDVHDZQFGEAGIQE-CHWSQXEVSA-N
MW333.37 g/mol
LogP1.21
Rot. Bonds6

About [5-fluoro-2-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-4-pyridinyl]methanol

[5-fluoro-2-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-4-pyridinyl]methanol (PubChem CID 154771906) has the molecular formula C16H20FN5O2 and a molecular weight of 333.37 g/mol. Its IUPAC name is [5-fluoro-2-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[5-fluoro-2-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-4-pyridinyl]methanol
PubChem CID154771906
Molecular FormulaC16H20FN5O2
Molecular Weight333.37 g/mol
Exact Mass333.16
IUPAC Name[5-fluoro-2-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-4-pyridinyl]methanol
SMILESCO[C@@H]1C[C@H](CNc2cc(CO)c(F)cn2)N(c2ccncn2)C1
InChIInChI=1S/C16H20FN5O2/c1-24-13-5-12(22(8-13)16-2-3-18-10-21-16)6-19-15-4-11(9-23)14(17)7-20-15/h2-4,7,10,12-13,23H,5-6,8-9H2,1H3,(H,19,20)/t12-,13-/m1/s1
InChIKeyDVHDZQFGEAGIQE-CHWSQXEVSA-N
XLogP1.21
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-4-pyridinyl]methanol?
The IUPAC name of [5-fluoro-2-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-4-pyridinyl]methanol (CID 154771906) is [5-fluoro-2-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-4-pyridinyl]methanol.
What is the SMILES notation for [5-fluoro-2-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-4-pyridinyl]methanol?
The canonical SMILES for [5-fluoro-2-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-4-pyridinyl]methanol is CO[C@@H]1C[C@H](CNc2cc(CO)c(F)cn2)N(c2ccncn2)C1.
What is the InChIKey of [5-fluoro-2-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-4-pyridinyl]methanol?
The InChIKey is DVHDZQFGEAGIQE-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H20FN5O2/c1-24-13-5-12(22(8-13)16-2-3-18-10-21-16)6-19-15-4-11(9-23)14(17)7-20-15/h2-4,7,10,12-13,23H,5-6,8-9H2,1H3,(H,19,20)/t12-,13-/m1/s1.
What are the key properties of [5-fluoro-2-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-4-pyridinyl]methanol?
[5-fluoro-2-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-4-pyridinyl]methanol has a molecular weight of 333.37 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-4-pyridinyl]methanol is sourced from PubChem (CID 154771906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).