2,5,6-trimethyl-N-(2-pyridin-2-ylsulfanylethyl)pyrimidin-4-amine

C14H18N4S — CID 72922153

IUPAC2,5,6-trimethyl-N-(2-pyridin-2-ylsulfanylethyl)pyrimidin-4-amine
SMILESCc1nc(C)c(C)c(NCCSc2ccccn2)n1
InChIInChI=1S/C14H18N4S/c1-10-11(2)17-12(3)18-14(10)16-8-9-19-13-6-4-5-7-15-13/h4-7H,8-9H2,1-3H3,(H,16,17,18)
InChIKeyBFFYAXCVNMFXST-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.00
Rot. Bonds5

About 2,5,6-trimethyl-N-(2-pyridin-2-ylsulfanylethyl)pyrimidin-4-amine

2,5,6-trimethyl-N-(2-pyridin-2-ylsulfanylethyl)pyrimidin-4-amine (PubChem CID 72922153) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 2,5,6-trimethyl-N-(2-pyridin-2-ylsulfanylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5,6-trimethyl-N-(2-pyridin-2-ylsulfanylethyl)pyrimidin-4-amine
PubChem CID72922153
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name2,5,6-trimethyl-N-(2-pyridin-2-ylsulfanylethyl)pyrimidin-4-amine
SMILESCc1nc(C)c(C)c(NCCSc2ccccn2)n1
InChIInChI=1S/C14H18N4S/c1-10-11(2)17-12(3)18-14(10)16-8-9-19-13-6-4-5-7-15-13/h4-7H,8-9H2,1-3H3,(H,16,17,18)
InChIKeyBFFYAXCVNMFXST-UHFFFAOYSA-N
XLogP3.00
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
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 2,5,6-trimethyl-N-(2-pyridin-2-ylsulfanylethyl)pyrimidin-4-amine?
The IUPAC name of 2,5,6-trimethyl-N-(2-pyridin-2-ylsulfanylethyl)pyrimidin-4-amine (CID 72922153) is 2,5,6-trimethyl-N-(2-pyridin-2-ylsulfanylethyl)pyrimidin-4-amine.
What is the SMILES notation for 2,5,6-trimethyl-N-(2-pyridin-2-ylsulfanylethyl)pyrimidin-4-amine?
The canonical SMILES for 2,5,6-trimethyl-N-(2-pyridin-2-ylsulfanylethyl)pyrimidin-4-amine is Cc1nc(C)c(C)c(NCCSc2ccccn2)n1.
What is the InChIKey of 2,5,6-trimethyl-N-(2-pyridin-2-ylsulfanylethyl)pyrimidin-4-amine?
The InChIKey is BFFYAXCVNMFXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-10-11(2)17-12(3)18-14(10)16-8-9-19-13-6-4-5-7-15-13/h4-7H,8-9H2,1-3H3,(H,16,17,18).
What are the key properties of 2,5,6-trimethyl-N-(2-pyridin-2-ylsulfanylethyl)pyrimidin-4-amine?
2,5,6-trimethyl-N-(2-pyridin-2-ylsulfanylethyl)pyrimidin-4-amine has a molecular weight of 274.39 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-N-(2-pyridin-2-ylsulfanylethyl)pyrimidin-4-amine is sourced from PubChem (CID 72922153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).