(5R)-7-cyclohexyl-2-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C20H28N4O3 — CID 97129825

IUPAC(5R)-7-cyclohexyl-2-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1ncc(C(=O)N2CC[C@]3(CCCN(C4CCCCC4)C3=O)C2)c(=O)[nH]1
InChIInChI=1S/C20H28N4O3/c1-14-21-12-16(17(25)22-14)18(26)23-11-9-20(13-23)8-5-10-24(19(20)27)15-6-3-2-4-7-15/h12,15H,2-11,13H2,1H3,(H,21,22,25)/t20-/m1/s1
InChIKeyAQYYTFORJVLUII-HXUWFJFHSA-N
MW372.47 g/mol
LogP1.87
Rot. Bonds2

About (5R)-7-cyclohexyl-2-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-cyclohexyl-2-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97129825) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is (5R)-7-cyclohexyl-2-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-cyclohexyl-2-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97129825
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name(5R)-7-cyclohexyl-2-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1ncc(C(=O)N2CC[C@]3(CCCN(C4CCCCC4)C3=O)C2)c(=O)[nH]1
InChIInChI=1S/C20H28N4O3/c1-14-21-12-16(17(25)22-14)18(26)23-11-9-20(13-23)8-5-10-24(19(20)27)15-6-3-2-4-7-15/h12,15H,2-11,13H2,1H3,(H,21,22,25)/t20-/m1/s1
InChIKeyAQYYTFORJVLUII-HXUWFJFHSA-N
XLogP1.87
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-7-cyclohexyl-2-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-cyclohexyl-2-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97129825) is (5R)-7-cyclohexyl-2-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-cyclohexyl-2-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-cyclohexyl-2-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is Cc1ncc(C(=O)N2CC[C@]3(CCCN(C4CCCCC4)C3=O)C2)c(=O)[nH]1.
What is the InChIKey of (5R)-7-cyclohexyl-2-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is AQYYTFORJVLUII-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-14-21-12-16(17(25)22-14)18(26)23-11-9-20(13-23)8-5-10-24(19(20)27)15-6-3-2-4-7-15/h12,15H,2-11,13H2,1H3,(H,21,22,25)/t20-/m1/s1.
What are the key properties of (5R)-7-cyclohexyl-2-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-cyclohexyl-2-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 372.47 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-cyclohexyl-2-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97129825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).