7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-amine bromide

C7H10BrN3S — CID 126478658

IUPAC7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-amine bromide
SMILESCc1cc(N)[n+]2c(n1)SCC2.[Br-]
InChIInChI=1S/C7H9N3S.BrH/c1-5-4-6(8)10-2-3-11-7(10)9-5;/h4,8H,2-3H2,1H3;1H
InChIKeyQAJZIPSAENDCAR-UHFFFAOYSA-N
MW248.15 g/mol
LogP-2.63
Rot. Bonds

About 7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-amine bromide

7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-amine bromide (PubChem CID 126478658) has the molecular formula C7H10BrN3S and a molecular weight of 248.15 g/mol. Its IUPAC name is 7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-amine bromide.

Molecular Properties

Compound Name7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-amine bromide
PubChem CID126478658
Molecular FormulaC7H10BrN3S
Molecular Weight248.15 g/mol
Exact Mass246.98
IUPAC Name7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-amine bromide
SMILESCc1cc(N)[n+]2c(n1)SCC2.[Br-]
InChIInChI=1S/C7H9N3S.BrH/c1-5-4-6(8)10-2-3-11-7(10)9-5;/h4,8H,2-3H2,1H3;1H
InChIKeyQAJZIPSAENDCAR-UHFFFAOYSA-N
XLogP-2.63
TPSA42.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 5-2.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-Pyrimidinamine, 2-((1-methylethyl)thio)-N,N,6-trimethyl-
CID 660772
Thiazolo(3,2-a)pyrimidin-4-ium, 2,3-dihydro-5,7-dimethyl-, bromide
CID 203729
Thiazolo(3,2-a)pyrimidin-4-ium, 2,3-dihydro-5,7-diamino-, bromide
CID 13285547
2,5,7-Trimethyl-2H,3H-[1,3]thiazolo[3,2-A]pyrimidin-4-ium
CID 4330704
N-Ethyl-6-methyl-2-(methylsulfanyl)pyrimidin-4-amine
CID 57606957
6-Methyl-4-methylamino-2-methylthiopyrimidine
CID 68651067
2-{[3-(Dimethylamino)propyl]sulfanyl}-6-methylpyrimidin-4-amine
CID 3313796
4-Amino-2-isopropylthio-6-methylpyrimidine
CID 115279565
5,7-Dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium
CID 203730
2,3-Dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5,7-diamine
CID 13285548
2-(2-Fluoroethylsulfanyl)-6-methylpyrimidin-4-amine
CID 79026200
4-(3-Fluoropyrrolidin-1-yl)-6-methyl-2-(methylsulfanyl)pyrimidine
CID 172006096

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-amine bromide?
The IUPAC name of 7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-amine bromide (CID 126478658) is 7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-amine bromide.
What is the SMILES notation for 7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-amine bromide?
The canonical SMILES for 7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-amine bromide is Cc1cc(N)[n+]2c(n1)SCC2.[Br-].
What is the InChIKey of 7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-amine bromide?
The InChIKey is QAJZIPSAENDCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3S.BrH/c1-5-4-6(8)10-2-3-11-7(10)9-5;/h4,8H,2-3H2,1H3;1H.
What are the key properties of 7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-amine bromide?
7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-amine bromide has a molecular weight of 248.15 g/mol, XLogP of -2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-amine bromide is sourced from PubChem (CID 126478658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).