(5S)-2-(6-ethyl-5-fluoropyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

C17H25FN4O2 — CID 97197412

IUPAC(5S)-2-(6-ethyl-5-fluoropyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCc1ncnc(N2CC[C@@]3(CCCN(CCOC)C3=O)C2)c1F
InChIInChI=1S/C17H25FN4O2/c1-3-13-14(18)15(20-12-19-13)22-8-6-17(11-22)5-4-7-21(16(17)23)9-10-24-2/h12H,3-11H2,1-2H3/t17-/m0/s1
InChIKeyGYQUJNIWASJBKY-KRWDZBQOSA-N
MW336.41 g/mol
LogP1.64
Rot. Bonds5

About (5S)-2-(6-ethyl-5-fluoropyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-2-(6-ethyl-5-fluoropyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97197412) has the molecular formula C17H25FN4O2 and a molecular weight of 336.41 g/mol. Its IUPAC name is (5S)-2-(6-ethyl-5-fluoropyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-2-(6-ethyl-5-fluoropyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97197412
Molecular FormulaC17H25FN4O2
Molecular Weight336.41 g/mol
Exact Mass336.20
IUPAC Name(5S)-2-(6-ethyl-5-fluoropyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCc1ncnc(N2CC[C@@]3(CCCN(CCOC)C3=O)C2)c1F
InChIInChI=1S/C17H25FN4O2/c1-3-13-14(18)15(20-12-19-13)22-8-6-17(11-22)5-4-7-21(16(17)23)9-10-24-2/h12H,3-11H2,1-2H3/t17-/m0/s1
InChIKeyGYQUJNIWASJBKY-KRWDZBQOSA-N
XLogP1.64
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-(6-ethyl-5-fluoropyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-2-(6-ethyl-5-fluoropyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97197412) is (5S)-2-(6-ethyl-5-fluoropyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-2-(6-ethyl-5-fluoropyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-2-(6-ethyl-5-fluoropyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is CCc1ncnc(N2CC[C@@]3(CCCN(CCOC)C3=O)C2)c1F.
What is the InChIKey of (5S)-2-(6-ethyl-5-fluoropyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is GYQUJNIWASJBKY-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H25FN4O2/c1-3-13-14(18)15(20-12-19-13)22-8-6-17(11-22)5-4-7-21(16(17)23)9-10-24-2/h12H,3-11H2,1-2H3/t17-/m0/s1.
What are the key properties of (5S)-2-(6-ethyl-5-fluoropyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-2-(6-ethyl-5-fluoropyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 336.41 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(6-ethyl-5-fluoropyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97197412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).