(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl N'-aminocarbamimidothioate

C10H14N6S — CID 77060718

IUPAC(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl N'-aminocarbamimidothioate
SMILESCc1cc(C)n2cc(CSC(N)=NN)nc2n1
InChIInChI=1S/C10H14N6S/c1-6-3-7(2)16-4-8(14-10(16)13-6)5-17-9(11)15-12/h3-4H,5,12H2,1-2H3,(H2,11,15)
InChIKeyRPBVDPWGEWJAAI-UHFFFAOYSA-N
MW250.33 g/mol
LogP0.77
Rot. Bonds2

About (5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl N'-aminocarbamimidothioate

(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl N'-aminocarbamimidothioate (PubChem CID 77060718) has the molecular formula C10H14N6S and a molecular weight of 250.33 g/mol. Its IUPAC name is (5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl N'-aminocarbamimidothioate.

Molecular Properties

Compound Name(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl N'-aminocarbamimidothioate
PubChem CID77060718
Molecular FormulaC10H14N6S
Molecular Weight250.33 g/mol
Exact Mass250.10
IUPAC Name(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl N'-aminocarbamimidothioate
SMILESCc1cc(C)n2cc(CSC(N)=NN)nc2n1
InChIInChI=1S/C10H14N6S/c1-6-3-7(2)16-4-8(14-10(16)13-6)5-17-9(11)15-12/h3-4H,5,12H2,1-2H3,(H2,11,15)
InChIKeyRPBVDPWGEWJAAI-UHFFFAOYSA-N
XLogP0.77
TPSA94.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl N'-aminocarbamimidothioate?
The IUPAC name of (5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl N'-aminocarbamimidothioate (CID 77060718) is (5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl N'-aminocarbamimidothioate.
What is the SMILES notation for (5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl N'-aminocarbamimidothioate?
The canonical SMILES for (5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl N'-aminocarbamimidothioate is Cc1cc(C)n2cc(CSC(N)=NN)nc2n1.
What is the InChIKey of (5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl N'-aminocarbamimidothioate?
The InChIKey is RPBVDPWGEWJAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6S/c1-6-3-7(2)16-4-8(14-10(16)13-6)5-17-9(11)15-12/h3-4H,5,12H2,1-2H3,(H2,11,15).
What are the key properties of (5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl N'-aminocarbamimidothioate?
(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl N'-aminocarbamimidothioate has a molecular weight of 250.33 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl N'-aminocarbamimidothioate is sourced from PubChem (CID 77060718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).