5-chloro-4-(2,6-diazaspiro[4.5]decan-2-yl)-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one

C17H19ClFN5O — CID 137291466

IUPAC5-chloro-4-(2,6-diazaspiro[4.5]decan-2-yl)-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccnc(F)c2)nc(N2CCC3(CCCCN3)C2)c1Cl
InChIInChI=1S/C17H19ClFN5O/c18-13-15(24-8-5-17(10-24)4-1-2-6-21-17)22-14(23-16(13)25)11-3-7-20-12(19)9-11/h3,7,9,21H,1-2,4-6,8,10H2,(H,22,23,25)
InChIKeyHFMTYRPXINWZND-UHFFFAOYSA-N
MW363.82 g/mol
LogP2.35
Rot. Bonds2

About 5-chloro-4-(2,6-diazaspiro[4.5]decan-2-yl)-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one

5-chloro-4-(2,6-diazaspiro[4.5]decan-2-yl)-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one (PubChem CID 137291466) has the molecular formula C17H19ClFN5O and a molecular weight of 363.82 g/mol. Its IUPAC name is 5-chloro-4-(2,6-diazaspiro[4.5]decan-2-yl)-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2,6-diazaspiro[4.5]decan-2-yl)-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one
PubChem CID137291466
Molecular FormulaC17H19ClFN5O
Molecular Weight363.82 g/mol
Exact Mass363.13
IUPAC Name5-chloro-4-(2,6-diazaspiro[4.5]decan-2-yl)-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccnc(F)c2)nc(N2CCC3(CCCCN3)C2)c1Cl
InChIInChI=1S/C17H19ClFN5O/c18-13-15(24-8-5-17(10-24)4-1-2-6-21-17)22-14(23-16(13)25)11-3-7-20-12(19)9-11/h3,7,9,21H,1-2,4-6,8,10H2,(H,22,23,25)
InChIKeyHFMTYRPXINWZND-UHFFFAOYSA-N
XLogP2.35
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2,6-diazaspiro[4.5]decan-2-yl)-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(2,6-diazaspiro[4.5]decan-2-yl)-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one (CID 137291466) is 5-chloro-4-(2,6-diazaspiro[4.5]decan-2-yl)-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(2,6-diazaspiro[4.5]decan-2-yl)-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(2,6-diazaspiro[4.5]decan-2-yl)-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccnc(F)c2)nc(N2CCC3(CCCCN3)C2)c1Cl.
What is the InChIKey of 5-chloro-4-(2,6-diazaspiro[4.5]decan-2-yl)-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one?
The InChIKey is HFMTYRPXINWZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN5O/c18-13-15(24-8-5-17(10-24)4-1-2-6-21-17)22-14(23-16(13)25)11-3-7-20-12(19)9-11/h3,7,9,21H,1-2,4-6,8,10H2,(H,22,23,25).
What are the key properties of 5-chloro-4-(2,6-diazaspiro[4.5]decan-2-yl)-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one?
5-chloro-4-(2,6-diazaspiro[4.5]decan-2-yl)-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one has a molecular weight of 363.82 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2,6-diazaspiro[4.5]decan-2-yl)-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137291466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).