(4-methyl-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl) carbamimidothioate;hydrobromide

C8H11BrN4OS — CID 12739191

IUPAC(4-methyl-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl) carbamimidothioate;hydrobromide
SMILESBr.[H]/N=C(\N)Sc1nc(C)c2c(n1)OCC2
InChIInChI=1S/C8H10N4OS.BrH/c1-4-5-2-3-13-6(5)12-8(11-4)14-7(9)10;/h2-3H2,1H3,(H3,9,10);1H
InChIKeyNEEHOYJZBAJTLG-UHFFFAOYSA-N
MW291.17 g/mol
LogP1.28
Rot. Bonds1

About (4-methyl-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl) carbamimidothioate;hydrobromide

(4-methyl-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl) carbamimidothioate;hydrobromide (PubChem CID 12739191) has the molecular formula C8H11BrN4OS and a molecular weight of 291.17 g/mol. Its IUPAC name is (4-methyl-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl) carbamimidothioate;hydrobromide.

Molecular Properties

Compound Name(4-methyl-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl) carbamimidothioate;hydrobromide
PubChem CID12739191
Molecular FormulaC8H11BrN4OS
Molecular Weight291.17 g/mol
Exact Mass289.98
IUPAC Name(4-methyl-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl) carbamimidothioate;hydrobromide
SMILESBr.[H]/N=C(\N)Sc1nc(C)c2c(n1)OCC2
InChIInChI=1S/C8H10N4OS.BrH/c1-4-5-2-3-13-6(5)12-8(11-4)14-7(9)10;/h2-3H2,1H3,(H3,9,10);1H
InChIKeyNEEHOYJZBAJTLG-UHFFFAOYSA-N
XLogP1.28
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl) carbamimidothioate;hydrobromide?
The IUPAC name of (4-methyl-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl) carbamimidothioate;hydrobromide (CID 12739191) is (4-methyl-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl) carbamimidothioate;hydrobromide.
What is the SMILES notation for (4-methyl-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl) carbamimidothioate;hydrobromide?
The canonical SMILES for (4-methyl-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl) carbamimidothioate;hydrobromide is Br.[H]/N=C(\N)Sc1nc(C)c2c(n1)OCC2.
What is the InChIKey of (4-methyl-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl) carbamimidothioate;hydrobromide?
The InChIKey is NEEHOYJZBAJTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS.BrH/c1-4-5-2-3-13-6(5)12-8(11-4)14-7(9)10;/h2-3H2,1H3,(H3,9,10);1H.
What are the key properties of (4-methyl-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl) carbamimidothioate;hydrobromide?
(4-methyl-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl) carbamimidothioate;hydrobromide has a molecular weight of 291.17 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl) carbamimidothioate;hydrobromide is sourced from PubChem (CID 12739191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).