(5R)-2-(4-methoxypyrimidin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one

C16H24N4O2 — CID 97130596

IUPAC(5R)-2-(4-methoxypyrimidin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCN1CCC[C@]2(CCN(c3nccc(OC)n3)C2)C1=O
InChIInChI=1S/C16H24N4O2/c1-3-9-19-10-4-6-16(14(19)21)7-11-20(12-16)15-17-8-5-13(18-15)22-2/h5,8H,3-4,6-7,9-12H2,1-2H3/t16-/m1/s1
InChIKeyJITBIAOXTIPPJV-MRXNPFEDSA-N
MW304.39 g/mol
LogP1.71
Rot. Bonds4

About (5R)-2-(4-methoxypyrimidin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one

(5R)-2-(4-methoxypyrimidin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97130596) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (5R)-2-(4-methoxypyrimidin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-2-(4-methoxypyrimidin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97130596
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(5R)-2-(4-methoxypyrimidin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCN1CCC[C@]2(CCN(c3nccc(OC)n3)C2)C1=O
InChIInChI=1S/C16H24N4O2/c1-3-9-19-10-4-6-16(14(19)21)7-11-20(12-16)15-17-8-5-13(18-15)22-2/h5,8H,3-4,6-7,9-12H2,1-2H3/t16-/m1/s1
InChIKeyJITBIAOXTIPPJV-MRXNPFEDSA-N
XLogP1.71
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-7-(2-methoxyethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one
CID 97118355
2-(7H-cyclopenta[b]pyridin-5-ylmethyl)-7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 153109635
7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 140585780
2-(4-ethyl-5-methylpyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72937971
1-(4-methoxypyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid
CID 63136313
1-(4-methoxypyrimidin-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 55166350
6-[(5R)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid
CID 97145855
(5R)-2-(8-methoxy-4-methylquinolin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97200151
7-(2-cyclohexylethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 45212678
(5S)-2-(7-fluoro-4-methylquinolin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97197350
N-methyl-6-[(5R)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxamide
CID 97202736
7-(2-hydroxyethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72930580

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(4-methoxypyrimidin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-2-(4-methoxypyrimidin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one (CID 97130596) is (5R)-2-(4-methoxypyrimidin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-2-(4-methoxypyrimidin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-2-(4-methoxypyrimidin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one is CCCN1CCC[C@]2(CCN(c3nccc(OC)n3)C2)C1=O.
What is the InChIKey of (5R)-2-(4-methoxypyrimidin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is JITBIAOXTIPPJV-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-3-9-19-10-4-6-16(14(19)21)7-11-20(12-16)15-17-8-5-13(18-15)22-2/h5,8H,3-4,6-7,9-12H2,1-2H3/t16-/m1/s1.
What are the key properties of (5R)-2-(4-methoxypyrimidin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
(5R)-2-(4-methoxypyrimidin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 304.39 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(4-methoxypyrimidin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97130596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).