5-fluoro-2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]pyrimidin-4-amine

C14H21FN4O — CID 164694367

IUPAC5-fluoro-2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]pyrimidin-4-amine
SMILESCO[C@@H]1CCC[C@]12CCCN(c1ncc(F)c(N)n1)C2
InChIInChI=1S/C14H21FN4O/c1-20-11-4-2-5-14(11)6-3-7-19(9-14)13-17-8-10(15)12(16)18-13/h8,11H,2-7,9H2,1H3,(H2,16,17,18)/t11-,14-/m1/s1
InChIKeyUAWYOFNSDZMRCU-BXUZGUMPSA-N
MW280.35 g/mol
LogP1.98
Rot. Bonds2

About 5-fluoro-2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]pyrimidin-4-amine

5-fluoro-2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]pyrimidin-4-amine (PubChem CID 164694367) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is 5-fluoro-2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]pyrimidin-4-amine
PubChem CID164694367
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name5-fluoro-2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]pyrimidin-4-amine
SMILESCO[C@@H]1CCC[C@]12CCCN(c1ncc(F)c(N)n1)C2
InChIInChI=1S/C14H21FN4O/c1-20-11-4-2-5-14(11)6-3-7-19(9-14)13-17-8-10(15)12(16)18-13/h8,11H,2-7,9H2,1H3,(H2,16,17,18)/t11-,14-/m1/s1
InChIKeyUAWYOFNSDZMRCU-BXUZGUMPSA-N
XLogP1.98
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]pyrimidin-4-amine (CID 164694367) is 5-fluoro-2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]pyrimidin-4-amine is CO[C@@H]1CCC[C@]12CCCN(c1ncc(F)c(N)n1)C2.
What is the InChIKey of 5-fluoro-2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]pyrimidin-4-amine?
The InChIKey is UAWYOFNSDZMRCU-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H21FN4O/c1-20-11-4-2-5-14(11)6-3-7-19(9-14)13-17-8-10(15)12(16)18-13/h8,11H,2-7,9H2,1H3,(H2,16,17,18)/t11-,14-/m1/s1.
What are the key properties of 5-fluoro-2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]pyrimidin-4-amine?
5-fluoro-2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]pyrimidin-4-amine has a molecular weight of 280.35 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]pyrimidin-4-amine is sourced from PubChem (CID 164694367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).