2-(ethylsulfanylmethyl)-6-(methoxymethyl)pyrimidin-4-amine

C9H15N3OS — CID 65128182

IUPAC2-(ethylsulfanylmethyl)-6-(methoxymethyl)pyrimidin-4-amine
SMILESCCSCc1nc(N)cc(COC)n1
InChIInChI=1S/C9H15N3OS/c1-3-14-6-9-11-7(5-13-2)4-8(10)12-9/h4H,3,5-6H2,1-2H3,(H2,10,11,12)
InChIKeyRQPRTYHAUIYIKB-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.46
Rot. Bonds5

About 2-(ethylsulfanylmethyl)-6-(methoxymethyl)pyrimidin-4-amine

2-(ethylsulfanylmethyl)-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 65128182) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-(ethylsulfanylmethyl)-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(ethylsulfanylmethyl)-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID65128182
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-(ethylsulfanylmethyl)-6-(methoxymethyl)pyrimidin-4-amine
SMILESCCSCc1nc(N)cc(COC)n1
InChIInChI=1S/C9H15N3OS/c1-3-14-6-9-11-7(5-13-2)4-8(10)12-9/h4H,3,5-6H2,1-2H3,(H2,10,11,12)
InChIKeyRQPRTYHAUIYIKB-UHFFFAOYSA-N
XLogP1.46
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfanylmethyl)-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 2-(ethylsulfanylmethyl)-6-(methoxymethyl)pyrimidin-4-amine (CID 65128182) is 2-(ethylsulfanylmethyl)-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(ethylsulfanylmethyl)-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(ethylsulfanylmethyl)-6-(methoxymethyl)pyrimidin-4-amine is CCSCc1nc(N)cc(COC)n1.
What is the InChIKey of 2-(ethylsulfanylmethyl)-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is RQPRTYHAUIYIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-3-14-6-9-11-7(5-13-2)4-8(10)12-9/h4H,3,5-6H2,1-2H3,(H2,10,11,12).
What are the key properties of 2-(ethylsulfanylmethyl)-6-(methoxymethyl)pyrimidin-4-amine?
2-(ethylsulfanylmethyl)-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 213.31 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfanylmethyl)-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 65128182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).