5-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione

C17H27N5O3 — CID 56748010

IUPAC5-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCN(C)C2(CCN(C)CC2)C1
InChIInChI=1S/C17H27N5O3/c1-12-13(15(24)19-16(25)18-12)10-14(23)22-9-8-21(3)17(11-22)4-6-20(2)7-5-17/h4-11H2,1-3H3,(H2,18,19,24,25)
InChIKeyZLPPLPDAURRGMB-UHFFFAOYSA-N
MW349.44 g/mol
LogP-0.85
Rot. Bonds2

About 5-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione

5-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 56748010) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 5-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID56748010
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name5-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCN(C)C2(CCN(C)CC2)C1
InChIInChI=1S/C17H27N5O3/c1-12-13(15(24)19-16(25)18-12)10-14(23)22-9-8-21(3)17(11-22)4-6-20(2)7-5-17/h4-11H2,1-3H3,(H2,18,19,24,25)
InChIKeyZLPPLPDAURRGMB-UHFFFAOYSA-N
XLogP-0.85
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione (CID 56748010) is 5-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCN(C)C2(CCN(C)CC2)C1.
What is the InChIKey of 5-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is ZLPPLPDAURRGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-12-13(15(24)19-16(25)18-12)10-14(23)22-9-8-21(3)17(11-22)4-6-20(2)7-5-17/h4-11H2,1-3H3,(H2,18,19,24,25).
What are the key properties of 5-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione?
5-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 349.44 g/mol, XLogP of -0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 56748010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).