2,2-dimethyl-5-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentanimidamide

C14H24N4S — CID 65262979

IUPAC2,2-dimethyl-5-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCSc1nc(C)c(C)c(C)n1
InChIInChI=1S/C14H24N4S/c1-9-10(2)17-13(18-11(9)3)19-8-6-7-14(4,5)12(15)16/h6-8H2,1-5H3,(H3,15,16)
InChIKeyDMUNDIZDNUMULI-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.24
Rot. Bonds6

About 2,2-dimethyl-5-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentanimidamide

2,2-dimethyl-5-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentanimidamide (PubChem CID 65262979) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is 2,2-dimethyl-5-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-5-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentanimidamide
PubChem CID65262979
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC Name2,2-dimethyl-5-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCSc1nc(C)c(C)c(C)n1
InChIInChI=1S/C14H24N4S/c1-9-10(2)17-13(18-11(9)3)19-8-6-7-14(4,5)12(15)16/h6-8H2,1-5H3,(H3,15,16)
InChIKeyDMUNDIZDNUMULI-UHFFFAOYSA-N
XLogP3.24
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2,2-dimethyl-5-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentanimidamide?
The IUPAC name of 2,2-dimethyl-5-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentanimidamide (CID 65262979) is 2,2-dimethyl-5-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentanimidamide.
What is the SMILES notation for 2,2-dimethyl-5-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentanimidamide?
The canonical SMILES for 2,2-dimethyl-5-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentanimidamide is [H]/N=C(\N)C(C)(C)CCCSc1nc(C)c(C)c(C)n1.
What is the InChIKey of 2,2-dimethyl-5-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentanimidamide?
The InChIKey is DMUNDIZDNUMULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-9-10(2)17-13(18-11(9)3)19-8-6-7-14(4,5)12(15)16/h6-8H2,1-5H3,(H3,15,16).
What are the key properties of 2,2-dimethyl-5-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentanimidamide?
2,2-dimethyl-5-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentanimidamide has a molecular weight of 280.44 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentanimidamide is sourced from PubChem (CID 65262979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).