disodium;2-(furan-2-ylmethylamino)-4-oxidopyrimidine-5-carboxylate

C10H7N3Na2O4 — CID 140677688

IUPACdisodium;2-(furan-2-ylmethylamino)-4-oxidopyrimidine-5-carboxylate
SMILESO=C([O-])c1cnc(NCc2ccco2)nc1[O-].[Na+].[Na+]
InChIInChI=1S/C10H9N3O4.2Na/c14-8-7(9(15)16)5-12-10(13-8)11-4-6-2-1-3-17-6;;/h1-3,5H,4H2,(H,15,16)(H2,11,12,13,14);;/q;2*+1/p-2
InChIKeyUZIQTVSGJQIKFY-UHFFFAOYSA-L
MW279.16 g/mol
LogP-6.87
Rot. Bonds4

About disodium;2-(furan-2-ylmethylamino)-4-oxidopyrimidine-5-carboxylate

disodium;2-(furan-2-ylmethylamino)-4-oxidopyrimidine-5-carboxylate (PubChem CID 140677688) has the molecular formula C10H7N3Na2O4 and a molecular weight of 279.16 g/mol. Its IUPAC name is disodium;2-(furan-2-ylmethylamino)-4-oxidopyrimidine-5-carboxylate.

Molecular Properties

Compound Namedisodium;2-(furan-2-ylmethylamino)-4-oxidopyrimidine-5-carboxylate
PubChem CID140677688
Molecular FormulaC10H7N3Na2O4
Molecular Weight279.16 g/mol
Exact Mass279.02
IUPAC Namedisodium;2-(furan-2-ylmethylamino)-4-oxidopyrimidine-5-carboxylate
SMILESO=C([O-])c1cnc(NCc2ccco2)nc1[O-].[Na+].[Na+]
InChIInChI=1S/C10H9N3O4.2Na/c14-8-7(9(15)16)5-12-10(13-8)11-4-6-2-1-3-17-6;;/h1-3,5H,4H2,(H,15,16)(H2,11,12,13,14);;/q;2*+1/p-2
InChIKeyUZIQTVSGJQIKFY-UHFFFAOYSA-L
XLogP-6.87
TPSA114.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.16
LogP ≤ 5-6.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-tert-butyl-2-(furan-2-ylmethylamino)pyrimidine-5-carboxylic acid
CID 91915936
N-(furan-2-ylmethyl)pyrimidin-2-amine
CID 28514232
5-bromo-2-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80766356
1-[2-[3-(furan-2-yl)propylamino]-4-methylpyrimidin-5-yl]ethanone
CID 137335001
5-amino-2-(furan-2-ylmethylamino)pyridine-3-carboxylic acid
CID 82475430
N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide
CID 20959722
potassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate;hydrochloride
CID 138402493
2-(furan-2-ylmethylamino)-5-nitrobenzoate
CID 7202536
2-(furan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide
CID 109303311
N-(furan-2-ylmethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247083
N-cyclopropyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109295735
N-butyl-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109248063

Frequently Asked Questions

What is the IUPAC name of disodium;2-(furan-2-ylmethylamino)-4-oxidopyrimidine-5-carboxylate?
The IUPAC name of disodium;2-(furan-2-ylmethylamino)-4-oxidopyrimidine-5-carboxylate (CID 140677688) is disodium;2-(furan-2-ylmethylamino)-4-oxidopyrimidine-5-carboxylate.
What is the SMILES notation for disodium;2-(furan-2-ylmethylamino)-4-oxidopyrimidine-5-carboxylate?
The canonical SMILES for disodium;2-(furan-2-ylmethylamino)-4-oxidopyrimidine-5-carboxylate is O=C([O-])c1cnc(NCc2ccco2)nc1[O-].[Na+].[Na+].
What is the InChIKey of disodium;2-(furan-2-ylmethylamino)-4-oxidopyrimidine-5-carboxylate?
The InChIKey is UZIQTVSGJQIKFY-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H9N3O4.2Na/c14-8-7(9(15)16)5-12-10(13-8)11-4-6-2-1-3-17-6;;/h1-3,5H,4H2,(H,15,16)(H2,11,12,13,14);;/q;2*+1/p-2.
What are the key properties of disodium;2-(furan-2-ylmethylamino)-4-oxidopyrimidine-5-carboxylate?
disodium;2-(furan-2-ylmethylamino)-4-oxidopyrimidine-5-carboxylate has a molecular weight of 279.16 g/mol, XLogP of -6.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-(furan-2-ylmethylamino)-4-oxidopyrimidine-5-carboxylate is sourced from PubChem (CID 140677688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).