1-amino-1-[6-[amino(carbamimidoyl)amino]-2-methylsulfanylpyrimidin-4-yl]guanidine

C7H14N10S — CID 70154144

IUPAC1-amino-1-[6-[amino(carbamimidoyl)amino]-2-methylsulfanylpyrimidin-4-yl]guanidine
SMILES[H]/N=C(\N)N(N)c1cc(N(N)/C(N)=N/[H])nc(SC)n1
InChIInChI=1S/C7H14N10S/c1-18-7-14-3(16(12)5(8)9)2-4(15-7)17(13)6(10)11/h2H,12-13H2,1H3,(H3,8,9)(H3,10,11)
InChIKeyPFIKCMRPIGFSOZ-UHFFFAOYSA-N
MW270.33 g/mol
LogP-1.65
Rot. Bonds3

About 1-amino-1-[6-[amino(carbamimidoyl)amino]-2-methylsulfanylpyrimidin-4-yl]guanidine

1-amino-1-[6-[amino(carbamimidoyl)amino]-2-methylsulfanylpyrimidin-4-yl]guanidine (PubChem CID 70154144) has the molecular formula C7H14N10S and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-amino-1-[6-[amino(carbamimidoyl)amino]-2-methylsulfanylpyrimidin-4-yl]guanidine.

Molecular Properties

Compound Name1-amino-1-[6-[amino(carbamimidoyl)amino]-2-methylsulfanylpyrimidin-4-yl]guanidine
PubChem CID70154144
Molecular FormulaC7H14N10S
Molecular Weight270.33 g/mol
Exact Mass270.11
IUPAC Name1-amino-1-[6-[amino(carbamimidoyl)amino]-2-methylsulfanylpyrimidin-4-yl]guanidine
SMILES[H]/N=C(\N)N(N)c1cc(N(N)/C(N)=N/[H])nc(SC)n1
InChIInChI=1S/C7H14N10S/c1-18-7-14-3(16(12)5(8)9)2-4(15-7)17(13)6(10)11/h2H,12-13H2,1H3,(H3,8,9)(H3,10,11)
InChIKeyPFIKCMRPIGFSOZ-UHFFFAOYSA-N
XLogP-1.65
TPSA184.04 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.33
LogP ≤ 5-1.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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 1-amino-1-[6-[amino(carbamimidoyl)amino]-2-methylsulfanylpyrimidin-4-yl]guanidine?
The IUPAC name of 1-amino-1-[6-[amino(carbamimidoyl)amino]-2-methylsulfanylpyrimidin-4-yl]guanidine (CID 70154144) is 1-amino-1-[6-[amino(carbamimidoyl)amino]-2-methylsulfanylpyrimidin-4-yl]guanidine.
What is the SMILES notation for 1-amino-1-[6-[amino(carbamimidoyl)amino]-2-methylsulfanylpyrimidin-4-yl]guanidine?
The canonical SMILES for 1-amino-1-[6-[amino(carbamimidoyl)amino]-2-methylsulfanylpyrimidin-4-yl]guanidine is [H]/N=C(\N)N(N)c1cc(N(N)/C(N)=N/[H])nc(SC)n1.
What is the InChIKey of 1-amino-1-[6-[amino(carbamimidoyl)amino]-2-methylsulfanylpyrimidin-4-yl]guanidine?
The InChIKey is PFIKCMRPIGFSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N10S/c1-18-7-14-3(16(12)5(8)9)2-4(15-7)17(13)6(10)11/h2H,12-13H2,1H3,(H3,8,9)(H3,10,11).
What are the key properties of 1-amino-1-[6-[amino(carbamimidoyl)amino]-2-methylsulfanylpyrimidin-4-yl]guanidine?
1-amino-1-[6-[amino(carbamimidoyl)amino]-2-methylsulfanylpyrimidin-4-yl]guanidine has a molecular weight of 270.33 g/mol, XLogP of -1.65, 3 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[6-[amino(carbamimidoyl)amino]-2-methylsulfanylpyrimidin-4-yl]guanidine is sourced from PubChem (CID 70154144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).