5-[(6S)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carbonyl]-1H-pyrimidine-2,4-dione

C15H21N5O4 — CID 97147978

IUPAC5-[(6S)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCN1CCN(C(=O)c2c[nH]c(=O)[nH]c2=O)C[C@]12CCNC(=O)CC2
InChIInChI=1S/C15H21N5O4/c1-19-6-7-20(9-15(19)3-2-11(21)16-5-4-15)13(23)10-8-17-14(24)18-12(10)22/h8H,2-7,9H2,1H3,(H,16,21)(H2,17,18,22,24)/t15-/m0/s1
InChIKeyDRGMOJUBIRQWKY-HNNXBMFYSA-N
MW335.36 g/mol
LogP-1.51
Rot. Bonds1

About 5-[(6S)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carbonyl]-1H-pyrimidine-2,4-dione

5-[(6S)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 97147978) has the molecular formula C15H21N5O4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 5-[(6S)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(6S)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID97147978
Molecular FormulaC15H21N5O4
Molecular Weight335.36 g/mol
Exact Mass335.16
IUPAC Name5-[(6S)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCN1CCN(C(=O)c2c[nH]c(=O)[nH]c2=O)C[C@]12CCNC(=O)CC2
InChIInChI=1S/C15H21N5O4/c1-19-6-7-20(9-15(19)3-2-11(21)16-5-4-15)13(23)10-8-17-14(24)18-12(10)22/h8H,2-7,9H2,1H3,(H,16,21)(H2,17,18,22,24)/t15-/m0/s1
InChIKeyDRGMOJUBIRQWKY-HNNXBMFYSA-N
XLogP-1.51
TPSA118.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodec-11-yl)carbonyl]pyrimidine-2,4(1H,3H)-dione
CID 56749235
5-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 64021498
1-Methyl-4-[(6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 72866658
5-{[(1S*,5R*)-3-acetyl-3,6-diazabicyclo[3.2.2]non-6-yl]carbonyl}-2,4(1H,3H)-pyrimidinedione
CID 72903882
5-[(1-methyl-10-oxo-1,4,9-triazaspiro[5.6]dodec-4-yl)carbonyl]-2,4(1H,3H)-pyrimidinedione
CID 72922507
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
(6S)-1-methyl-4-(6-oxo-1H-pyrimidine-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97122087
(6R)-1-methyl-4-(6-oxo-1H-pyrimidine-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97122088
5-[(6R)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carbonyl]-1H-pyrimidine-2,4-dione
CID 97147979
5-[2-[(6S)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 97157002
5-[2-[(6R)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 97157003

Frequently Asked Questions

What is the IUPAC name of 5-[(6S)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(6S)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carbonyl]-1H-pyrimidine-2,4-dione (CID 97147978) is 5-[(6S)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(6S)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(6S)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carbonyl]-1H-pyrimidine-2,4-dione is CN1CCN(C(=O)c2c[nH]c(=O)[nH]c2=O)C[C@]12CCNC(=O)CC2.
What is the InChIKey of 5-[(6S)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is DRGMOJUBIRQWKY-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21N5O4/c1-19-6-7-20(9-15(19)3-2-11(21)16-5-4-15)13(23)10-8-17-14(24)18-12(10)22/h8H,2-7,9H2,1H3,(H,16,21)(H2,17,18,22,24)/t15-/m0/s1.
What are the key properties of 5-[(6S)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carbonyl]-1H-pyrimidine-2,4-dione?
5-[(6S)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 335.36 g/mol, XLogP of -1.51, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6S)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 97147978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).