8-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one

C16H25N5O — CID 50975473

IUPAC8-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCCCNc1ncc(CN2CCC3(CC2)CNC(=O)C3)cn1
InChIInChI=1S/C16H25N5O/c1-2-5-17-15-18-9-13(10-19-15)11-21-6-3-16(4-7-21)8-14(22)20-12-16/h9-10H,2-8,11-12H2,1H3,(H,20,22)(H,17,18,19)
InChIKeyMQVSAVVIHIUNEP-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.40
Rot. Bonds5

About 8-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one

8-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 50975473) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 8-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID50975473
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name8-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCCCNc1ncc(CN2CCC3(CC2)CNC(=O)C3)cn1
InChIInChI=1S/C16H25N5O/c1-2-5-17-15-18-9-13(10-19-15)11-21-6-3-16(4-7-21)8-14(22)20-12-16/h9-10H,2-8,11-12H2,1H3,(H,20,22)(H,17,18,19)
InChIKeyMQVSAVVIHIUNEP-UHFFFAOYSA-N
XLogP1.40
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one (CID 50975473) is 8-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one is CCCNc1ncc(CN2CCC3(CC2)CNC(=O)C3)cn1.
What is the InChIKey of 8-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is MQVSAVVIHIUNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-2-5-17-15-18-9-13(10-19-15)11-21-6-3-16(4-7-21)8-14(22)20-12-16/h9-10H,2-8,11-12H2,1H3,(H,20,22)(H,17,18,19).
What are the key properties of 8-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
8-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 303.41 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 50975473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).