(5S)-2-(5-acetyl-4-methylpyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

C16H22N4O2 — CID 97191427

IUPAC(5S)-2-(5-acetyl-4-methylpyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(=O)c1cnc(N2CC[C@@]3(CCCN(C)C3=O)C2)nc1C
InChIInChI=1S/C16H22N4O2/c1-11-13(12(2)21)9-17-15(18-11)20-8-6-16(10-20)5-4-7-19(3)14(16)22/h9H,4-8,10H2,1-3H3/t16-/m0/s1
InChIKeyQTLGYYHMOHRXQG-INIZCTEOSA-N
MW302.38 g/mol
LogP1.44
Rot. Bonds2

About (5S)-2-(5-acetyl-4-methylpyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

(5S)-2-(5-acetyl-4-methylpyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97191427) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (5S)-2-(5-acetyl-4-methylpyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-2-(5-acetyl-4-methylpyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97191427
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(5S)-2-(5-acetyl-4-methylpyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(=O)c1cnc(N2CC[C@@]3(CCCN(C)C3=O)C2)nc1C
InChIInChI=1S/C16H22N4O2/c1-11-13(12(2)21)9-17-15(18-11)20-8-6-16(10-20)5-4-7-19(3)14(16)22/h9H,4-8,10H2,1-3H3/t16-/m0/s1
InChIKeyQTLGYYHMOHRXQG-INIZCTEOSA-N
XLogP1.44
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 70713165
(5R)-7-methyl-2-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95223658
(5S)-7-methyl-2-quinoxalin-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97142246
2-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 95881220
2-(4-ethyl-5-methylpyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72937971
7-methyl-2-quinolin-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 72881477
7-methyl-2-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72895669
(5R)-7-methyl-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97210264
(5R)-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 97155022
1-[4-methyl-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone
CID 135096582
1-[4-methyl-2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone
CID 72863951
(5S)-7-methyl-2-(1H-pyrrolo[2,3-b]pyridin-6-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 95715580

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(5-acetyl-4-methylpyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-2-(5-acetyl-4-methylpyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one (CID 97191427) is (5S)-2-(5-acetyl-4-methylpyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-2-(5-acetyl-4-methylpyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-2-(5-acetyl-4-methylpyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one is CC(=O)c1cnc(N2CC[C@@]3(CCCN(C)C3=O)C2)nc1C.
What is the InChIKey of (5S)-2-(5-acetyl-4-methylpyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is QTLGYYHMOHRXQG-INIZCTEOSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11-13(12(2)21)9-17-15(18-11)20-8-6-16(10-20)5-4-7-19(3)14(16)22/h9H,4-8,10H2,1-3H3/t16-/m0/s1.
What are the key properties of (5S)-2-(5-acetyl-4-methylpyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
(5S)-2-(5-acetyl-4-methylpyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 302.38 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(5-acetyl-4-methylpyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97191427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).