3-pyrimidin-4-ylsulfanylpentanimidamide

C9H14N4S — CID 63695864

IUPAC3-pyrimidin-4-ylsulfanylpentanimidamide
SMILES[H]/N=C(\N)CC(CC)Sc1ccncn1
InChIInChI=1S/C9H14N4S/c1-2-7(5-8(10)11)14-9-3-4-12-6-13-9/h3-4,6-7H,2,5H2,1H3,(H3,10,11)
InChIKeyKJFPSBLYPKPMGX-UHFFFAOYSA-N
MW210.31 g/mol
LogP1.67
Rot. Bonds5

About 3-pyrimidin-4-ylsulfanylpentanimidamide

3-pyrimidin-4-ylsulfanylpentanimidamide (PubChem CID 63695864) has the molecular formula C9H14N4S and a molecular weight of 210.31 g/mol. Its IUPAC name is 3-pyrimidin-4-ylsulfanylpentanimidamide.

Molecular Properties

Compound Name3-pyrimidin-4-ylsulfanylpentanimidamide
PubChem CID63695864
Molecular FormulaC9H14N4S
Molecular Weight210.31 g/mol
Exact Mass210.09
IUPAC Name3-pyrimidin-4-ylsulfanylpentanimidamide
SMILES[H]/N=C(\N)CC(CC)Sc1ccncn1
InChIInChI=1S/C9H14N4S/c1-2-7(5-8(10)11)14-9-3-4-12-6-13-9/h3-4,6-7H,2,5H2,1H3,(H3,10,11)
InChIKeyKJFPSBLYPKPMGX-UHFFFAOYSA-N
XLogP1.67
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.31
LogP ≤ 51.67
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-4-ylsulfanylpentanimidamide?
The IUPAC name of 3-pyrimidin-4-ylsulfanylpentanimidamide (CID 63695864) is 3-pyrimidin-4-ylsulfanylpentanimidamide.
What is the SMILES notation for 3-pyrimidin-4-ylsulfanylpentanimidamide?
The canonical SMILES for 3-pyrimidin-4-ylsulfanylpentanimidamide is [H]/N=C(\N)CC(CC)Sc1ccncn1.
What is the InChIKey of 3-pyrimidin-4-ylsulfanylpentanimidamide?
The InChIKey is KJFPSBLYPKPMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S/c1-2-7(5-8(10)11)14-9-3-4-12-6-13-9/h3-4,6-7H,2,5H2,1H3,(H3,10,11).
What are the key properties of 3-pyrimidin-4-ylsulfanylpentanimidamide?
3-pyrimidin-4-ylsulfanylpentanimidamide has a molecular weight of 210.31 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-4-ylsulfanylpentanimidamide is sourced from PubChem (CID 63695864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).