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2-[9-(6-methyl-2-propylpyrimidin-4-yl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide

C19H29N5O2 — CID 70783821

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[9-(6-methyl-2-propylpyrimidin-4-yl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
SMILESCCCc1nc(C)cc(N2CCC3(CCC(=O)N(CC(N)=O)C3)CC2)n1
InChIInChI=1S/C19H29N5O2/c1-3-4-16-21-14(2)11-17(22-16)23-9-7-19(8-10-23)6-5-18(26)24(13-19)12-15(20)25/h11H,3-10,12-13H2,1-2H3,(H2,20,25)
InChIKeyVGDKRXMXZMQPKR-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.43
Rot. Bonds5

About 2-[9-(6-methyl-2-propylpyrimidin-4-yl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide

2-[9-(6-methyl-2-propylpyrimidin-4-yl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide (PubChem CID 70783821) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[9-(6-methyl-2-propylpyrimidin-4-yl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide.

Molecular Properties

Compound Name2-[9-(6-methyl-2-propylpyrimidin-4-yl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
PubChem CID70783821
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name2-[9-(6-methyl-2-propylpyrimidin-4-yl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
SMILESCCCc1nc(C)cc(N2CCC3(CCC(=O)N(CC(N)=O)C3)CC2)n1
InChIInChI=1S/C19H29N5O2/c1-3-4-16-21-14(2)11-17(22-16)23-9-7-19(8-10-23)6-5-18(26)24(13-19)12-15(20)25/h11H,3-10,12-13H2,1-2H3,(H2,20,25)
InChIKeyVGDKRXMXZMQPKR-UHFFFAOYSA-N
XLogP1.43
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[9-(6-methyl-2-propylpyrimidin-4-yl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
The IUPAC name of 2-[9-(6-methyl-2-propylpyrimidin-4-yl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide (CID 70783821) is 2-[9-(6-methyl-2-propylpyrimidin-4-yl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide.
What is the SMILES notation for 2-[9-(6-methyl-2-propylpyrimidin-4-yl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
The canonical SMILES for 2-[9-(6-methyl-2-propylpyrimidin-4-yl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide is CCCc1nc(C)cc(N2CCC3(CCC(=O)N(CC(N)=O)C3)CC2)n1.
What is the InChIKey of 2-[9-(6-methyl-2-propylpyrimidin-4-yl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
The InChIKey is VGDKRXMXZMQPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-3-4-16-21-14(2)11-17(22-16)23-9-7-19(8-10-23)6-5-18(26)24(13-19)12-15(20)25/h11H,3-10,12-13H2,1-2H3,(H2,20,25).
What are the key properties of 2-[9-(6-methyl-2-propylpyrimidin-4-yl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
2-[9-(6-methyl-2-propylpyrimidin-4-yl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide has a molecular weight of 359.47 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(6-methyl-2-propylpyrimidin-4-yl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide is sourced from PubChem (CID 70783821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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