3-[[2-(propylamino)pyrimidin-5-yl]methyl]-3,10-diazaspiro[5.6]dodecan-9-one

C18H29N5O — CID 56718109

IUPAC3-[[2-(propylamino)pyrimidin-5-yl]methyl]-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCCCNc1ncc(CN2CCC3(CCNC(=O)CC3)CC2)cn1
InChIInChI=1S/C18H29N5O/c1-2-8-20-17-21-12-15(13-22-17)14-23-10-6-18(7-11-23)4-3-16(24)19-9-5-18/h12-13H,2-11,14H2,1H3,(H,19,24)(H,20,21,22)
InChIKeyNADLUDRVILZEIA-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.18
Rot. Bonds5

About 3-[[2-(propylamino)pyrimidin-5-yl]methyl]-3,10-diazaspiro[5.6]dodecan-9-one

3-[[2-(propylamino)pyrimidin-5-yl]methyl]-3,10-diazaspiro[5.6]dodecan-9-one (PubChem CID 56718109) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-[[2-(propylamino)pyrimidin-5-yl]methyl]-3,10-diazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name3-[[2-(propylamino)pyrimidin-5-yl]methyl]-3,10-diazaspiro[5.6]dodecan-9-one
PubChem CID56718109
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name3-[[2-(propylamino)pyrimidin-5-yl]methyl]-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCCCNc1ncc(CN2CCC3(CCNC(=O)CC3)CC2)cn1
InChIInChI=1S/C18H29N5O/c1-2-8-20-17-21-12-15(13-22-17)14-23-10-6-18(7-11-23)4-3-16(24)19-9-5-18/h12-13H,2-11,14H2,1H3,(H,19,24)(H,20,21,22)
InChIKeyNADLUDRVILZEIA-UHFFFAOYSA-N
XLogP2.18
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(propylamino)pyrimidin-5-yl]methyl]-3,10-diazaspiro[5.6]dodecan-9-one?
The IUPAC name of 3-[[2-(propylamino)pyrimidin-5-yl]methyl]-3,10-diazaspiro[5.6]dodecan-9-one (CID 56718109) is 3-[[2-(propylamino)pyrimidin-5-yl]methyl]-3,10-diazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 3-[[2-(propylamino)pyrimidin-5-yl]methyl]-3,10-diazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 3-[[2-(propylamino)pyrimidin-5-yl]methyl]-3,10-diazaspiro[5.6]dodecan-9-one is CCCNc1ncc(CN2CCC3(CCNC(=O)CC3)CC2)cn1.
What is the InChIKey of 3-[[2-(propylamino)pyrimidin-5-yl]methyl]-3,10-diazaspiro[5.6]dodecan-9-one?
The InChIKey is NADLUDRVILZEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-2-8-20-17-21-12-15(13-22-17)14-23-10-6-18(7-11-23)4-3-16(24)19-9-5-18/h12-13H,2-11,14H2,1H3,(H,19,24)(H,20,21,22).
What are the key properties of 3-[[2-(propylamino)pyrimidin-5-yl]methyl]-3,10-diazaspiro[5.6]dodecan-9-one?
3-[[2-(propylamino)pyrimidin-5-yl]methyl]-3,10-diazaspiro[5.6]dodecan-9-one has a molecular weight of 331.46 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(propylamino)pyrimidin-5-yl]methyl]-3,10-diazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 56718109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).