7-methyl-2-(6-methyl-2-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one

C17H26N4O — CID 56742768

IUPAC7-methyl-2-(6-methyl-2-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCc1nc(C)cc(N2CCC3(CCCN(C)C3=O)C2)n1
InChIInChI=1S/C17H26N4O/c1-4-6-14-18-13(2)11-15(19-14)21-10-8-17(12-21)7-5-9-20(3)16(17)22/h11H,4-10,12H2,1-3H3
InChIKeySIKXGIJIRPYYPA-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.19
Rot. Bonds3

About 7-methyl-2-(6-methyl-2-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one

7-methyl-2-(6-methyl-2-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 56742768) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 7-methyl-2-(6-methyl-2-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-methyl-2-(6-methyl-2-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID56742768
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name7-methyl-2-(6-methyl-2-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCc1nc(C)cc(N2CCC3(CCCN(C)C3=O)C2)n1
InChIInChI=1S/C17H26N4O/c1-4-6-14-18-13(2)11-15(19-14)21-10-8-17(12-21)7-5-9-20(3)16(17)22/h11H,4-10,12H2,1-3H3
InChIKeySIKXGIJIRPYYPA-UHFFFAOYSA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(6-methyl-2-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-methyl-2-(6-methyl-2-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 56742768) is 7-methyl-2-(6-methyl-2-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-methyl-2-(6-methyl-2-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-methyl-2-(6-methyl-2-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one is CCCc1nc(C)cc(N2CCC3(CCCN(C)C3=O)C2)n1.
What is the InChIKey of 7-methyl-2-(6-methyl-2-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is SIKXGIJIRPYYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-4-6-14-18-13(2)11-15(19-14)21-10-8-17(12-21)7-5-9-20(3)16(17)22/h11H,4-10,12H2,1-3H3.
What are the key properties of 7-methyl-2-(6-methyl-2-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
7-methyl-2-(6-methyl-2-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 302.42 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(6-methyl-2-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 56742768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).