N-(methoxymethyl)-2-methylsulfanylpyrimidin-4-amine

C7H11N3OS — CID 123197528

IUPACN-(methoxymethyl)-2-methylsulfanylpyrimidin-4-amine
SMILESCOCNc1ccnc(SC)n1
InChIInChI=1S/C7H11N3OS/c1-11-5-9-6-3-4-8-7(10-6)12-2/h3-4H,5H2,1-2H3,(H,8,9,10)
InChIKeyKBPOYINWAVAXGX-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.21
Rot. Bonds4

About N-(methoxymethyl)-2-methylsulfanylpyrimidin-4-amine

N-(methoxymethyl)-2-methylsulfanylpyrimidin-4-amine (PubChem CID 123197528) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is N-(methoxymethyl)-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(methoxymethyl)-2-methylsulfanylpyrimidin-4-amine
PubChem CID123197528
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC NameN-(methoxymethyl)-2-methylsulfanylpyrimidin-4-amine
SMILESCOCNc1ccnc(SC)n1
InChIInChI=1S/C7H11N3OS/c1-11-5-9-6-3-4-8-7(10-6)12-2/h3-4H,5H2,1-2H3,(H,8,9,10)
InChIKeyKBPOYINWAVAXGX-UHFFFAOYSA-N
XLogP1.21
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-(methoxymethyl)-2-methylsulfanylpyrimidin-4-amine (CID 123197528) is N-(methoxymethyl)-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-(methoxymethyl)-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-(methoxymethyl)-2-methylsulfanylpyrimidin-4-amine is COCNc1ccnc(SC)n1.
What is the InChIKey of N-(methoxymethyl)-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is KBPOYINWAVAXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-11-5-9-6-3-4-8-7(10-6)12-2/h3-4H,5H2,1-2H3,(H,8,9,10).
What are the key properties of N-(methoxymethyl)-2-methylsulfanylpyrimidin-4-amine?
N-(methoxymethyl)-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 185.25 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 123197528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).