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

C16H24N4O2 — CID 56715748

IUPAC3-[(2-methoxypyrimidin-5-yl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCOc1ncc(CN2CCC3(CCNC(=O)CC3)CC2)cn1
InChIInChI=1S/C16H24N4O2/c1-22-15-18-10-13(11-19-15)12-20-8-5-16(6-9-20)3-2-14(21)17-7-4-16/h10-11H,2-9,12H2,1H3,(H,17,21)
InChIKeyHNPFDASBWJUQFJ-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.37
Rot. Bonds3

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

3-[(2-methoxypyrimidin-5-yl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one (PubChem CID 56715748) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-[(2-methoxypyrimidin-5-yl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name3-[(2-methoxypyrimidin-5-yl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one
PubChem CID56715748
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name3-[(2-methoxypyrimidin-5-yl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCOc1ncc(CN2CCC3(CCNC(=O)CC3)CC2)cn1
InChIInChI=1S/C16H24N4O2/c1-22-15-18-10-13(11-19-15)12-20-8-5-16(6-9-20)3-2-14(21)17-7-4-16/h10-11H,2-9,12H2,1H3,(H,17,21)
InChIKeyHNPFDASBWJUQFJ-UHFFFAOYSA-N
XLogP1.37
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxypyrimidin-5-yl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one?
The IUPAC name of 3-[(2-methoxypyrimidin-5-yl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one (CID 56715748) is 3-[(2-methoxypyrimidin-5-yl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 3-[(2-methoxypyrimidin-5-yl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 3-[(2-methoxypyrimidin-5-yl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one is COc1ncc(CN2CCC3(CCNC(=O)CC3)CC2)cn1.
What is the InChIKey of 3-[(2-methoxypyrimidin-5-yl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one?
The InChIKey is HNPFDASBWJUQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-22-15-18-10-13(11-19-15)12-20-8-5-16(6-9-20)3-2-14(21)17-7-4-16/h10-11H,2-9,12H2,1H3,(H,17,21).
What are the key properties of 3-[(2-methoxypyrimidin-5-yl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one?
3-[(2-methoxypyrimidin-5-yl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one has a molecular weight of 304.39 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxypyrimidin-5-yl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 56715748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).