5-[2-(10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione

C17H24N4O4 — CID 91796989

IUPAC5-[2-(10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCN1CCC2(CCC1=O)CCN(C(=O)Cc1c[nH]c(=O)[nH]c1=O)CC2
InChIInChI=1S/C17H24N4O4/c1-20-7-4-17(3-2-13(20)22)5-8-21(9-6-17)14(23)10-12-11-18-16(25)19-15(12)24/h11H,2-10H2,1H3,(H2,18,19,24,25)
InChIKeyCJCABPSRFIBKIS-UHFFFAOYSA-N
MW348.40 g/mol
LogP-0.14
Rot. Bonds2

About 5-[2-(10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione

5-[2-(10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 91796989) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 5-[2-(10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID91796989
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name5-[2-(10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCN1CCC2(CCC1=O)CCN(C(=O)Cc1c[nH]c(=O)[nH]c1=O)CC2
InChIInChI=1S/C17H24N4O4/c1-20-7-4-17(3-2-13(20)22)5-8-21(9-6-17)14(23)10-12-11-18-16(25)19-15(12)24/h11H,2-10H2,1H3,(H2,18,19,24,25)
InChIKeyCJCABPSRFIBKIS-UHFFFAOYSA-N
XLogP-0.14
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(2-cyclopropyl-3-oxo-2,9-diazaspiro[5.5]undec-9-yl)-2-oxoethyl]pyrimidine-2,4(1H,3H)-dione
CID 72861923
3-methyl-5-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]dec-2-yl)-2-oxoethyl]pyrimidine-2,4(1H,3H)-dione
CID 72857380
5-[2-(2-isobutyl-3-oxo-2,8-diazaspiro[4.5]dec-8-yl)-2-oxoethyl]-3-methylpyrimidine-2,4(1H,3H)-dione
CID 72899926
5-{2-[8-(3-methylbutyl)-9-oxo-2,8-diazaspiro[5.5]undec-2-yl]-2-oxoethyl}pyrimidine-2,4(1H,3H)-dione
CID 72839368
5-[2-(8-butyl-9-oxo-2,8-diazaspiro[5.5]undec-2-yl)-2-oxoethyl]pyrimidine-2,4(1H,3H)-dione
CID 72876054
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-[2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]dec-8-yl)-2-oxoethyl]-3-methyl-2,4(1H,3H)-pyrimidinedione
CID 70782871
5-{2-[2-(cyclopropylmethyl)-3-oxo-2,9-diazaspiro[5.5]undec-9-yl]-2-oxoethyl}pyrimidine-2,4(1H,3H)-dione
CID 72846870
5-[2-(7-isopropyl-6-oxo-2,7-diazaspiro[4.5]dec-2-yl)-2-oxoethyl]-3-methylpyrimidine-2,4(1H,3H)-dione
CID 72891329
5-{2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]dec-2-yl]-2-oxoethyl}-3-methylpyrimidine-2,4(1H,3H)-dione
CID 72892255
5-[2-(2-isobutyl-3-oxo-2,8-diazaspiro[4.5]dec-8-yl)-2-oxoethyl]-2,4(1H,3H)-pyrimidinedione
CID 72893728
5-{2-[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undec-9-yl]-2-oxoethyl}pyrimidine-2,4(1H,3H)-dione
CID 72905606

Frequently Asked Questions

What is the IUPAC name of 5-[2-(10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-(10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 91796989) is 5-[2-(10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-(10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-(10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione is CN1CCC2(CCC1=O)CCN(C(=O)Cc1c[nH]c(=O)[nH]c1=O)CC2.
What is the InChIKey of 5-[2-(10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is CJCABPSRFIBKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-20-7-4-17(3-2-13(20)22)5-8-21(9-6-17)14(23)10-12-11-18-16(25)19-15(12)24/h11H,2-10H2,1H3,(H2,18,19,24,25).
What are the key properties of 5-[2-(10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
5-[2-(10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 348.40 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 91796989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).