3-methyl-5-[2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione

C17H25N5O4 — CID 56753580

IUPAC3-methyl-5-[2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCN1CCCNC(=O)C12CCN(C(=O)Cc1c[nH]c(=O)n(C)c1=O)CC2
InChIInChI=1S/C17H25N5O4/c1-20-7-3-6-18-15(25)17(20)4-8-22(9-5-17)13(23)10-12-11-19-16(26)21(2)14(12)24/h11H,3-10H2,1-2H3,(H,18,25)(H,19,26)
InChIKeyWTXLSUAZEWDJGQ-UHFFFAOYSA-N
MW363.42 g/mol
LogP-1.57
Rot. Bonds2

About 3-methyl-5-[2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione

3-methyl-5-[2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 56753580) has the molecular formula C17H25N5O4 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-methyl-5-[2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-5-[2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID56753580
Molecular FormulaC17H25N5O4
Molecular Weight363.42 g/mol
Exact Mass363.19
IUPAC Name3-methyl-5-[2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCN1CCCNC(=O)C12CCN(C(=O)Cc1c[nH]c(=O)n(C)c1=O)CC2
InChIInChI=1S/C17H25N5O4/c1-20-7-3-6-18-15(25)17(20)4-8-22(9-5-17)13(23)10-12-11-19-16(26)21(2)14(12)24/h11H,3-10H2,1-2H3,(H,18,25)(H,19,26)
InChIKeyWTXLSUAZEWDJGQ-UHFFFAOYSA-N
XLogP-1.57
TPSA107.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 5-1.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodec-11-yl)-2-oxoethyl]pyrimidine-2,4(1H,3H)-dione
CID 56742503
5-[(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodec-11-yl)carbonyl]pyrimidine-2,4(1H,3H)-dione
CID 56749235
N-{(1S*,2R*)-2-[(1-acetyl-4-piperidinyl)amino]cyclobutyl}-2-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)acetamide
CID 56897265
N-cyclopropyl-1-[(3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)acetyl]-2-piperazinecarboxamide
CID 56907460
2-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-N-methyl-N-{[1-(1-piperidinyl)cyclohexyl]methyl}acetamide
CID 56915461
5-[2-(2-butyl-4-methyl-3-oxo-1-piperazinyl)-2-oxoethyl]-2,4(1H,3H)-pyrimidinedione
CID 70715705
5-[2-(4-isobutyl-2-methyl-3-oxo-1-piperazinyl)-2-oxoethyl]-3-methyl-2,4(1H,3H)-pyrimidinedione
CID 70786900
(1R*,5R*)-N,N-dimethyl-6-[(3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)acetyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 72896948
2-{4-[(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)acetyl]-1-piperazinyl}-N-ethylacetamide
CID 72932140
5-Methyl-1-[2-(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 72939890
5-[2-(1-methyl-10-oxo-1,4,9-triazaspiro[5.6]dodec-4-yl)-2-oxoethyl]-2,4(1H,3H)-pyrimidinedione
CID 72941252
5-{2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-2-oxoethyl}-3-methylpyrimidine-2,4(1H,3H)-dione
CID 91790487

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-5-[2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 56753580) is 3-methyl-5-[2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-5-[2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-5-[2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione is CN1CCCNC(=O)C12CCN(C(=O)Cc1c[nH]c(=O)n(C)c1=O)CC2.
What is the InChIKey of 3-methyl-5-[2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is WTXLSUAZEWDJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4/c1-20-7-3-6-18-15(25)17(20)4-8-22(9-5-17)13(23)10-12-11-19-16(26)21(2)14(12)24/h11H,3-10H2,1-2H3,(H,18,25)(H,19,26).
What are the key properties of 3-methyl-5-[2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
3-methyl-5-[2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 363.42 g/mol, XLogP of -1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 56753580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).