1-methyl-9-(2-methyl-5-propylpyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-5-one

C17H27N5O — CID 56752109

IUPAC1-methyl-9-(2-methyl-5-propylpyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCCCc1cnc(C)nc1N1CCC2(CC1)C(=O)NCCN2C
InChIInChI=1S/C17H27N5O/c1-4-5-14-12-19-13(2)20-15(14)22-9-6-17(7-10-22)16(23)18-8-11-21(17)3/h12H,4-11H2,1-3H3,(H,18,23)
InChIKeyMKARYNUQHMHZNO-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.14
Rot. Bonds3

About 1-methyl-9-(2-methyl-5-propylpyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-5-one

1-methyl-9-(2-methyl-5-propylpyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 56752109) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-methyl-9-(2-methyl-5-propylpyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name1-methyl-9-(2-methyl-5-propylpyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID56752109
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name1-methyl-9-(2-methyl-5-propylpyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCCCc1cnc(C)nc1N1CCC2(CC1)C(=O)NCCN2C
InChIInChI=1S/C17H27N5O/c1-4-5-14-12-19-13(2)20-15(14)22-9-6-17(7-10-22)16(23)18-8-11-21(17)3/h12H,4-11H2,1-3H3,(H,18,23)
InChIKeyMKARYNUQHMHZNO-UHFFFAOYSA-N
XLogP1.14
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-(2-methyl-5-propylpyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 1-methyl-9-(2-methyl-5-propylpyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-5-one (CID 56752109) is 1-methyl-9-(2-methyl-5-propylpyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 1-methyl-9-(2-methyl-5-propylpyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 1-methyl-9-(2-methyl-5-propylpyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-5-one is CCCc1cnc(C)nc1N1CCC2(CC1)C(=O)NCCN2C.
What is the InChIKey of 1-methyl-9-(2-methyl-5-propylpyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is MKARYNUQHMHZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-4-5-14-12-19-13(2)20-15(14)22-9-6-17(7-10-22)16(23)18-8-11-21(17)3/h12H,4-11H2,1-3H3,(H,18,23).
What are the key properties of 1-methyl-9-(2-methyl-5-propylpyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-5-one?
1-methyl-9-(2-methyl-5-propylpyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 317.44 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-(2-methyl-5-propylpyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 56752109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).