7-(2-methyl-5-propylpyrimidin-4-yl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one

C18H28N4O — CID 175642032

IUPAC7-(2-methyl-5-propylpyrimidin-4-yl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCCCc1cnc(C)nc1N1CCC2(CCN(CCC)C2=O)C1
InChIInChI=1S/C18H28N4O/c1-4-6-15-12-19-14(3)20-16(15)22-11-8-18(13-22)7-10-21(9-5-2)17(18)23/h12H,4-11,13H2,1-3H3
InChIKeyREPLLCFCSGHOLE-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.58
Rot. Bonds5

About 7-(2-methyl-5-propylpyrimidin-4-yl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one

7-(2-methyl-5-propylpyrimidin-4-yl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 175642032) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 7-(2-methyl-5-propylpyrimidin-4-yl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-(2-methyl-5-propylpyrimidin-4-yl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID175642032
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name7-(2-methyl-5-propylpyrimidin-4-yl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCCCc1cnc(C)nc1N1CCC2(CCN(CCC)C2=O)C1
InChIInChI=1S/C18H28N4O/c1-4-6-15-12-19-14(3)20-16(15)22-11-8-18(13-22)7-10-21(9-5-2)17(18)23/h12H,4-11,13H2,1-3H3
InChIKeyREPLLCFCSGHOLE-UHFFFAOYSA-N
XLogP2.58
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidine-4-carboxylic acid
CID 56864292
(5S)-7-(2-methyl-5-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
CID 95210934
1-(2-methylpropyl)-8-(2-methyl-5-propylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165419600
6-[(5R)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid
CID 97145855
(5R)-2-(3,6-dimethylpyrazin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97187615
(5R)-2-(4-methoxypyrimidin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97130596
4-(5-ethyl-2-methylpyrimidin-4-yl)-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70716153
(3R,4S)-3-benzyl-4-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 164698806
2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 97114677
7-(2-methoxyethyl)-2-(2-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72840019
(5R)-7-(2-methoxyethyl)-2-(2-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97126852
(6S)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97115766

Frequently Asked Questions

What is the IUPAC name of 7-(2-methyl-5-propylpyrimidin-4-yl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-(2-methyl-5-propylpyrimidin-4-yl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one (CID 175642032) is 7-(2-methyl-5-propylpyrimidin-4-yl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-(2-methyl-5-propylpyrimidin-4-yl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-(2-methyl-5-propylpyrimidin-4-yl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one is CCCc1cnc(C)nc1N1CCC2(CCN(CCC)C2=O)C1.
What is the InChIKey of 7-(2-methyl-5-propylpyrimidin-4-yl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is REPLLCFCSGHOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-4-6-15-12-19-14(3)20-16(15)22-11-8-18(13-22)7-10-21(9-5-2)17(18)23/h12H,4-11,13H2,1-3H3.
What are the key properties of 7-(2-methyl-5-propylpyrimidin-4-yl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one?
7-(2-methyl-5-propylpyrimidin-4-yl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 316.45 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methyl-5-propylpyrimidin-4-yl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 175642032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).