disodium;5-butyl-5-(2-naphthalen-1-ylethyl)-6-oxopyrimidine-2,4-diolate

C20H20N2Na2O3 — CID 24834091

IUPACdisodium;5-butyl-5-(2-naphthalen-1-ylethyl)-6-oxopyrimidine-2,4-diolate
SMILESCCCCC1(CCc2cccc3ccccc23)C(=O)N=C([O-])N=C1[O-].[Na+].[Na+]
InChIInChI=1S/C20H22N2O3.2Na/c1-2-3-12-20(17(23)21-19(25)22-18(20)24)13-11-15-9-6-8-14-7-4-5-10-16(14)15;;/h4-10H,2-3,11-13H2,1H3,(H2,21,22,23,24,25);;/q;2*+1/p-2
InChIKeyUDSSIJQWAMTIRE-UHFFFAOYSA-L
MW382.37 g/mol
LogP-4.03
Rot. Bonds6

About disodium;5-butyl-5-(2-naphthalen-1-ylethyl)-6-oxopyrimidine-2,4-diolate

disodium;5-butyl-5-(2-naphthalen-1-ylethyl)-6-oxopyrimidine-2,4-diolate (PubChem CID 24834091) has the molecular formula C20H20N2Na2O3 and a molecular weight of 382.37 g/mol. Its IUPAC name is disodium;5-butyl-5-(2-naphthalen-1-ylethyl)-6-oxopyrimidine-2,4-diolate.

Molecular Properties

Compound Namedisodium;5-butyl-5-(2-naphthalen-1-ylethyl)-6-oxopyrimidine-2,4-diolate
PubChem CID24834091
Molecular FormulaC20H20N2Na2O3
Molecular Weight382.37 g/mol
Exact Mass382.13
IUPAC Namedisodium;5-butyl-5-(2-naphthalen-1-ylethyl)-6-oxopyrimidine-2,4-diolate
SMILESCCCCC1(CCc2cccc3ccccc23)C(=O)N=C([O-])N=C1[O-].[Na+].[Na+]
InChIInChI=1S/C20H22N2O3.2Na/c1-2-3-12-20(17(23)21-19(25)22-18(20)24)13-11-15-9-6-8-14-7-4-5-10-16(14)15;;/h4-10H,2-3,11-13H2,1H3,(H2,21,22,23,24,25);;/q;2*+1/p-2
InChIKeyUDSSIJQWAMTIRE-UHFFFAOYSA-L
XLogP-4.03
TPSA87.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 5-4.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of disodium;5-butyl-5-(2-naphthalen-1-ylethyl)-6-oxopyrimidine-2,4-diolate?
The IUPAC name of disodium;5-butyl-5-(2-naphthalen-1-ylethyl)-6-oxopyrimidine-2,4-diolate (CID 24834091) is disodium;5-butyl-5-(2-naphthalen-1-ylethyl)-6-oxopyrimidine-2,4-diolate.
What is the SMILES notation for disodium;5-butyl-5-(2-naphthalen-1-ylethyl)-6-oxopyrimidine-2,4-diolate?
The canonical SMILES for disodium;5-butyl-5-(2-naphthalen-1-ylethyl)-6-oxopyrimidine-2,4-diolate is CCCCC1(CCc2cccc3ccccc23)C(=O)N=C([O-])N=C1[O-].[Na+].[Na+].
What is the InChIKey of disodium;5-butyl-5-(2-naphthalen-1-ylethyl)-6-oxopyrimidine-2,4-diolate?
The InChIKey is UDSSIJQWAMTIRE-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H22N2O3.2Na/c1-2-3-12-20(17(23)21-19(25)22-18(20)24)13-11-15-9-6-8-14-7-4-5-10-16(14)15;;/h4-10H,2-3,11-13H2,1H3,(H2,21,22,23,24,25);;/q;2*+1/p-2.
What are the key properties of disodium;5-butyl-5-(2-naphthalen-1-ylethyl)-6-oxopyrimidine-2,4-diolate?
disodium;5-butyl-5-(2-naphthalen-1-ylethyl)-6-oxopyrimidine-2,4-diolate has a molecular weight of 382.37 g/mol, XLogP of -4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;5-butyl-5-(2-naphthalen-1-ylethyl)-6-oxopyrimidine-2,4-diolate is sourced from PubChem (CID 24834091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).