5-amino-1-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidine-2,4-dione

C14H21N3O3 — CID 102897966

IUPAC5-amino-1-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidine-2,4-dione
SMILESCn1cc(N)c(=O)n(CC2CCC3(CCCC3)O2)c1=O
InChIInChI=1S/C14H21N3O3/c1-16-9-11(15)12(18)17(13(16)19)8-10-4-7-14(20-10)5-2-3-6-14/h9-10H,2-8,15H2,1H3
InChIKeyNRLFNNFLYCUXBI-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.62
Rot. Bonds2

About 5-amino-1-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidine-2,4-dione

5-amino-1-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidine-2,4-dione (PubChem CID 102897966) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-amino-1-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidine-2,4-dione
PubChem CID102897966
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name5-amino-1-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidine-2,4-dione
SMILESCn1cc(N)c(=O)n(CC2CCC3(CCCC3)O2)c1=O
InChIInChI=1S/C14H21N3O3/c1-16-9-11(15)12(18)17(13(16)19)8-10-4-7-14(20-10)5-2-3-6-14/h9-10H,2-8,15H2,1H3
InChIKeyNRLFNNFLYCUXBI-UHFFFAOYSA-N
XLogP0.62
TPSA79.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-4-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyridin-2-one
CID 102897974
3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridin-2-one
CID 102897962
5-iodo-2-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidin-4-one
CID 102899735
6-chloro-2-ethyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidin-4-one
CID 102899759
3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrazole-4-carboxylic acid
CID 102898704
5-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidine-2,4-dione
CID 102901058
5,5-dimethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazolidine-2,4-dione
CID 102901153
3-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 164636026
3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine-2,6-dione
CID 102900133
5-amino-1-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione
CID 63800611
4-(chloromethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole
CID 106720824
3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 102901716

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidine-2,4-dione (CID 102897966) is 5-amino-1-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidine-2,4-dione is Cn1cc(N)c(=O)n(CC2CCC3(CCCC3)O2)c1=O.
What is the InChIKey of 5-amino-1-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is NRLFNNFLYCUXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-16-9-11(15)12(18)17(13(16)19)8-10-4-7-14(20-10)5-2-3-6-14/h9-10H,2-8,15H2,1H3.
What are the key properties of 5-amino-1-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidine-2,4-dione?
5-amino-1-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 279.34 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 102897966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).