1-(5-bromo-3-methyl-2,6-dioxopyrimidin-4-yl)-2-methylguanidine;hydrochloride

C7H11BrClN5O2 — CID 162074519

IUPAC1-(5-bromo-3-methyl-2,6-dioxopyrimidin-4-yl)-2-methylguanidine;hydrochloride
SMILESC/N=C(\N)Nc1c(Br)c(=O)[nH]c(=O)n1C.Cl
InChIInChI=1S/C7H10BrN5O2.ClH/c1-10-6(9)11-4-3(8)5(14)12-7(15)13(4)2;/h1-2H3,(H3,9,10,11)(H,12,14,15);1H
InChIKeyITFOWQPSSKJXMS-UHFFFAOYSA-N
MW312.56 g/mol
LogP-0.39
Rot. Bonds1

About 1-(5-bromo-3-methyl-2,6-dioxopyrimidin-4-yl)-2-methylguanidine;hydrochloride

1-(5-bromo-3-methyl-2,6-dioxopyrimidin-4-yl)-2-methylguanidine;hydrochloride (PubChem CID 162074519) has the molecular formula C7H11BrClN5O2 and a molecular weight of 312.56 g/mol. Its IUPAC name is 1-(5-bromo-3-methyl-2,6-dioxopyrimidin-4-yl)-2-methylguanidine;hydrochloride.

Molecular Properties

Compound Name1-(5-bromo-3-methyl-2,6-dioxopyrimidin-4-yl)-2-methylguanidine;hydrochloride
PubChem CID162074519
Molecular FormulaC7H11BrClN5O2
Molecular Weight312.56 g/mol
Exact Mass310.98
IUPAC Name1-(5-bromo-3-methyl-2,6-dioxopyrimidin-4-yl)-2-methylguanidine;hydrochloride
SMILESC/N=C(\N)Nc1c(Br)c(=O)[nH]c(=O)n1C.Cl
InChIInChI=1S/C7H10BrN5O2.ClH/c1-10-6(9)11-4-3(8)5(14)12-7(15)13(4)2;/h1-2H3,(H3,9,10,11)(H,12,14,15);1H
InChIKeyITFOWQPSSKJXMS-UHFFFAOYSA-N
XLogP-0.39
TPSA105.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.56
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Mls002693778
CID 251705
6-Amino-5-bromo-1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 255445
6-Amino-5-bromo-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
CID 251706
5-Bromo-1,3-dimethyl-6-(methylamino)pyrimidine-2,4-dione
CID 250717
4-amino-5-bromo-2-(dimethylamino)-1H-pyrimidin-6-one
CID 137198828
6-Amino-5-bromo-1-methylpyrimidine-2,4(1H,3H)-dione hydrate
CID 2769426
1-(5-Bromo-3-methyl-2,6-dioxopyrimidin-4-yl)-2-methylguanidine
CID 162074520

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyl-2,6-dioxopyrimidin-4-yl)-2-methylguanidine;hydrochloride?
The IUPAC name of 1-(5-bromo-3-methyl-2,6-dioxopyrimidin-4-yl)-2-methylguanidine;hydrochloride (CID 162074519) is 1-(5-bromo-3-methyl-2,6-dioxopyrimidin-4-yl)-2-methylguanidine;hydrochloride.
What is the SMILES notation for 1-(5-bromo-3-methyl-2,6-dioxopyrimidin-4-yl)-2-methylguanidine;hydrochloride?
The canonical SMILES for 1-(5-bromo-3-methyl-2,6-dioxopyrimidin-4-yl)-2-methylguanidine;hydrochloride is C/N=C(\N)Nc1c(Br)c(=O)[nH]c(=O)n1C.Cl.
What is the InChIKey of 1-(5-bromo-3-methyl-2,6-dioxopyrimidin-4-yl)-2-methylguanidine;hydrochloride?
The InChIKey is ITFOWQPSSKJXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN5O2.ClH/c1-10-6(9)11-4-3(8)5(14)12-7(15)13(4)2;/h1-2H3,(H3,9,10,11)(H,12,14,15);1H.
What are the key properties of 1-(5-bromo-3-methyl-2,6-dioxopyrimidin-4-yl)-2-methylguanidine;hydrochloride?
1-(5-bromo-3-methyl-2,6-dioxopyrimidin-4-yl)-2-methylguanidine;hydrochloride has a molecular weight of 312.56 g/mol, XLogP of -0.39, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyl-2,6-dioxopyrimidin-4-yl)-2-methylguanidine;hydrochloride is sourced from PubChem (CID 162074519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).