2-(cyclopropylamino)-2-methyl-5-pyrimidin-4-ylsulfanylpentanamide

C13H20N4OS — CID 63696970

IUPAC2-(cyclopropylamino)-2-methyl-5-pyrimidin-4-ylsulfanylpentanamide
SMILESCC(CCCSc1ccncn1)(NC1CC1)C(N)=O
InChIInChI=1S/C13H20N4OS/c1-13(12(14)18,17-10-3-4-10)6-2-8-19-11-5-7-15-9-16-11/h5,7,9-10,17H,2-4,6,8H2,1H3,(H2,14,18)
InChIKeyQGVMXCBBGXJTNH-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.34
Rot. Bonds8

About 2-(cyclopropylamino)-2-methyl-5-pyrimidin-4-ylsulfanylpentanamide

2-(cyclopropylamino)-2-methyl-5-pyrimidin-4-ylsulfanylpentanamide (PubChem CID 63696970) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-5-pyrimidin-4-ylsulfanylpentanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-5-pyrimidin-4-ylsulfanylpentanamide
PubChem CID63696970
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name2-(cyclopropylamino)-2-methyl-5-pyrimidin-4-ylsulfanylpentanamide
SMILESCC(CCCSc1ccncn1)(NC1CC1)C(N)=O
InChIInChI=1S/C13H20N4OS/c1-13(12(14)18,17-10-3-4-10)6-2-8-19-11-5-7-15-9-16-11/h5,7,9-10,17H,2-4,6,8H2,1H3,(H2,14,18)
InChIKeyQGVMXCBBGXJTNH-UHFFFAOYSA-N
XLogP1.34
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-5-pyrimidin-4-ylsulfanylpentanamide?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-5-pyrimidin-4-ylsulfanylpentanamide (CID 63696970) is 2-(cyclopropylamino)-2-methyl-5-pyrimidin-4-ylsulfanylpentanamide.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-5-pyrimidin-4-ylsulfanylpentanamide?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-5-pyrimidin-4-ylsulfanylpentanamide is CC(CCCSc1ccncn1)(NC1CC1)C(N)=O.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-5-pyrimidin-4-ylsulfanylpentanamide?
The InChIKey is QGVMXCBBGXJTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-13(12(14)18,17-10-3-4-10)6-2-8-19-11-5-7-15-9-16-11/h5,7,9-10,17H,2-4,6,8H2,1H3,(H2,14,18).
What are the key properties of 2-(cyclopropylamino)-2-methyl-5-pyrimidin-4-ylsulfanylpentanamide?
2-(cyclopropylamino)-2-methyl-5-pyrimidin-4-ylsulfanylpentanamide has a molecular weight of 280.40 g/mol, XLogP of 1.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-5-pyrimidin-4-ylsulfanylpentanamide is sourced from PubChem (CID 63696970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).