dimethyl-[2-oxo-2-[(1R,9S)-6-oxo-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]azanium

C19H24N5O2+ — CID 7686156

IUPACdimethyl-[2-oxo-2-[(1R,9S)-6-oxo-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]azanium
SMILESC[NH+](C)CC(=O)N1C[C@@H]2C[C@H](C1)c1c(-c3cncnc3)ccc(=O)n1C2
InChIInChI=1S/C19H23N5O2/c1-22(2)11-18(26)23-8-13-5-14(10-23)19-16(15-6-20-12-21-7-15)3-4-17(25)24(19)9-13/h3-4,6-7,12-14H,5,8-11H2,1-2H3/p+1/t13-,14+/m0/s1
InChIKeyCYILRMNSPHLFMP-UONOGXRCSA-O
MW354.43 g/mol
LogP-0.60
Rot. Bonds3

About dimethyl-[2-oxo-2-[(1R,9S)-6-oxo-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]azanium

dimethyl-[2-oxo-2-[(1R,9S)-6-oxo-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]azanium (PubChem CID 7686156) has the molecular formula C19H24N5O2+ and a molecular weight of 354.43 g/mol. Its IUPAC name is dimethyl-[2-oxo-2-[(1R,9S)-6-oxo-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]azanium.

Molecular Properties

Compound Namedimethyl-[2-oxo-2-[(1R,9S)-6-oxo-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]azanium
PubChem CID7686156
Molecular FormulaC19H24N5O2+
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Namedimethyl-[2-oxo-2-[(1R,9S)-6-oxo-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]azanium
SMILESC[NH+](C)CC(=O)N1C[C@@H]2C[C@H](C1)c1c(-c3cncnc3)ccc(=O)n1C2
InChIInChI=1S/C19H23N5O2/c1-22(2)11-18(26)23-8-13-5-14(10-23)19-16(15-6-20-12-21-7-15)3-4-17(25)24(19)9-13/h3-4,6-7,12-14H,5,8-11H2,1-2H3/p+1/t13-,14+/m0/s1
InChIKeyCYILRMNSPHLFMP-UONOGXRCSA-O
XLogP-0.60
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze dimethyl-[2-oxo-2-[(1R,9S)-6-oxo-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]azanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-oxo-2-[(1R,9S)-6-oxo-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]azanium?
The IUPAC name of dimethyl-[2-oxo-2-[(1R,9S)-6-oxo-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]azanium (CID 7686156) is dimethyl-[2-oxo-2-[(1R,9S)-6-oxo-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]azanium.
What is the SMILES notation for dimethyl-[2-oxo-2-[(1R,9S)-6-oxo-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]azanium?
The canonical SMILES for dimethyl-[2-oxo-2-[(1R,9S)-6-oxo-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]azanium is C[NH+](C)CC(=O)N1C[C@@H]2C[C@H](C1)c1c(-c3cncnc3)ccc(=O)n1C2.
What is the InChIKey of dimethyl-[2-oxo-2-[(1R,9S)-6-oxo-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]azanium?
The InChIKey is CYILRMNSPHLFMP-UONOGXRCSA-O. The full InChI is InChI=1S/C19H23N5O2/c1-22(2)11-18(26)23-8-13-5-14(10-23)19-16(15-6-20-12-21-7-15)3-4-17(25)24(19)9-13/h3-4,6-7,12-14H,5,8-11H2,1-2H3/p+1/t13-,14+/m0/s1.
What are the key properties of dimethyl-[2-oxo-2-[(1R,9S)-6-oxo-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]azanium?
dimethyl-[2-oxo-2-[(1R,9S)-6-oxo-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]azanium has a molecular weight of 354.43 g/mol, XLogP of -0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-oxo-2-[(1R,9S)-6-oxo-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]azanium is sourced from PubChem (CID 7686156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).