5-methyl-1-[2-(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)-2-oxoethyl]pyrimidine-2,4-dione

C17H25N5O4 — CID 72939890

IUPAC5-methyl-1-[2-(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCc1cn(CC(=O)N2CCN(C)C3(CCNC(=O)CC3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C17H25N5O4/c1-12-9-22(16(26)19-15(12)25)10-14(24)21-8-7-20(2)17(11-21)4-3-13(23)18-6-5-17/h9H,3-8,10-11H2,1-2H3,(H,18,23)(H,19,25,26)
InChIKeyIPHBUDYSNOVZFJ-UHFFFAOYSA-N
MW363.42 g/mol
LogP-1.34
Rot. Bonds2

About 5-methyl-1-[2-(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)-2-oxoethyl]pyrimidine-2,4-dione

5-methyl-1-[2-(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 72939890) has the molecular formula C17H25N5O4 and a molecular weight of 363.42 g/mol. Its IUPAC name is 5-methyl-1-[2-(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[2-(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID72939890
Molecular FormulaC17H25N5O4
Molecular Weight363.42 g/mol
Exact Mass363.19
IUPAC Name5-methyl-1-[2-(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCc1cn(CC(=O)N2CCN(C)C3(CCNC(=O)CC3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C17H25N5O4/c1-12-9-22(16(26)19-15(12)25)10-14(24)21-8-7-20(2)17(11-21)4-3-13(23)18-6-5-17/h9H,3-8,10-11H2,1-2H3,(H,18,23)(H,19,25,26)
InChIKeyIPHBUDYSNOVZFJ-UHFFFAOYSA-N
XLogP-1.34
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 ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-1-[2-(9-methyl-3,9-diazaspiro[5.6]dodec-3-yl)-2-oxoethyl]pyrimidine-2,4(1H,3H)-dione
CID 56742471
9-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1-ethyl-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 69838906
9-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-3-(2-methylpropyl)-1-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 69839009
1-butyl-9-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 69839184
1,3-Dimethyl-5-[[(2-oxoazepan-3-yl)amino]methyl]pyrimidine-2,4-dione
CID 43687920
5-[2-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodec-11-yl)-2-oxoethyl]pyrimidine-2,4(1H,3H)-dione
CID 56742503
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
N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpiperidine-2-carboxamide
CID 60962622
5-[[(2,6-Dioxopiperidin-3-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 65955313
1,3-Dimethyl-5-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]pyrimidine-2,4-dione
CID 65967651
1-{2-[(1S*,5R*)-6-(cyclopropylmethyl)-7-oxo-3,6-diazabicyclo[3.2.2]non-3-yl]-2-oxoethyl}-5-methyl-2,4(1H,3H)-pyrimidinedione
CID 70745133
5-methyl-1-{2-oxo-2-[(1S*,5R*)-7-oxo-6-propyl-3,6-diazabicyclo[3.2.2]non-3-yl]ethyl}pyrimidine-2,4(1H,3H)-dione
CID 72898421

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 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) is 5-methyl-1-[2-(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[2-(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[2-(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)-2-oxoethyl]pyrimidine-2,4-dione is Cc1cn(CC(=O)N2CCN(C)C3(CCNC(=O)CC3)C2)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-[2-(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is IPHBUDYSNOVZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4/c1-12-9-22(16(26)19-15(12)25)10-14(24)21-8-7-20(2)17(11-21)4-3-13(23)18-6-5-17/h9H,3-8,10-11H2,1-2H3,(H,18,23)(H,19,25,26).
What are the key properties of 5-methyl-1-[2-(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)-2-oxoethyl]pyrimidine-2,4-dione?
5-methyl-1-[2-(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 363.42 g/mol, XLogP of -1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 72939890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).