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

C16H23N5O4 — CID 97157002

IUPAC5-[2-[(6S)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCN1CCN(C(=O)Cc2c[nH]c(=O)[nH]c2=O)C[C@]12CCNC(=O)CC2
InChIInChI=1S/C16H23N5O4/c1-20-6-7-21(10-16(20)3-2-12(22)17-5-4-16)13(23)8-11-9-18-15(25)19-14(11)24/h9H,2-8,10H2,1H3,(H,17,22)(H2,18,19,24,25)/t16-/m0/s1
InChIKeyCXNGPFYZMQLXHB-INIZCTEOSA-N
MW349.39 g/mol
LogP-1.58
Rot. Bonds2

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

5-[2-[(6S)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 97157002) has the molecular formula C16H23N5O4 and a molecular weight of 349.39 g/mol. Its IUPAC name is 5-[2-[(6S)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[(6S)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID97157002
Molecular FormulaC16H23N5O4
Molecular Weight349.39 g/mol
Exact Mass349.18
IUPAC Name5-[2-[(6S)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCN1CCN(C(=O)Cc2c[nH]c(=O)[nH]c2=O)C[C@]12CCNC(=O)CC2
InChIInChI=1S/C16H23N5O4/c1-20-6-7-21(10-16(20)3-2-12(22)17-5-4-16)13(23)8-11-9-18-15(25)19-14(11)24/h9H,2-8,10H2,1H3,(H,17,22)(H2,18,19,24,25)/t16-/m0/s1
InChIKeyCXNGPFYZMQLXHB-INIZCTEOSA-N
XLogP-1.58
TPSA118.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(6S)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 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) is 5-[2-[(6S)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-[(6S)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-[(6S)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is CN1CCN(C(=O)Cc2c[nH]c(=O)[nH]c2=O)C[C@]12CCNC(=O)CC2.
What is the InChIKey of 5-[2-[(6S)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is CXNGPFYZMQLXHB-INIZCTEOSA-N. The full InChI is InChI=1S/C16H23N5O4/c1-20-6-7-21(10-16(20)3-2-12(22)17-5-4-16)13(23)8-11-9-18-15(25)19-14(11)24/h9H,2-8,10H2,1H3,(H,17,22)(H2,18,19,24,25)/t16-/m0/s1.
What are the key properties of 5-[2-[(6S)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
5-[2-[(6S)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 349.39 g/mol, XLogP of -1.58, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(6S)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 97157002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).