6-methyl-2-(oxetan-3-ylsulfanylmethyl)pyrimidin-4-amine

C9H13N3OS — CID 80654809

IUPAC6-methyl-2-(oxetan-3-ylsulfanylmethyl)pyrimidin-4-amine
SMILESCc1cc(N)nc(CSC2COC2)n1
InChIInChI=1S/C9H13N3OS/c1-6-2-8(10)12-9(11-6)5-14-7-3-13-4-7/h2,7H,3-5H2,1H3,(H2,10,11,12)
InChIKeyVSUQRENBQBSAPP-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.00
Rot. Bonds3

About 6-methyl-2-(oxetan-3-ylsulfanylmethyl)pyrimidin-4-amine

6-methyl-2-(oxetan-3-ylsulfanylmethyl)pyrimidin-4-amine (PubChem CID 80654809) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 6-methyl-2-(oxetan-3-ylsulfanylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-(oxetan-3-ylsulfanylmethyl)pyrimidin-4-amine
PubChem CID80654809
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name6-methyl-2-(oxetan-3-ylsulfanylmethyl)pyrimidin-4-amine
SMILESCc1cc(N)nc(CSC2COC2)n1
InChIInChI=1S/C9H13N3OS/c1-6-2-8(10)12-9(11-6)5-14-7-3-13-4-7/h2,7H,3-5H2,1H3,(H2,10,11,12)
InChIKeyVSUQRENBQBSAPP-UHFFFAOYSA-N
XLogP1.00
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(oxetan-3-ylsulfanylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-(oxetan-3-ylsulfanylmethyl)pyrimidin-4-amine (CID 80654809) is 6-methyl-2-(oxetan-3-ylsulfanylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-(oxetan-3-ylsulfanylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-(oxetan-3-ylsulfanylmethyl)pyrimidin-4-amine is Cc1cc(N)nc(CSC2COC2)n1.
What is the InChIKey of 6-methyl-2-(oxetan-3-ylsulfanylmethyl)pyrimidin-4-amine?
The InChIKey is VSUQRENBQBSAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-6-2-8(10)12-9(11-6)5-14-7-3-13-4-7/h2,7H,3-5H2,1H3,(H2,10,11,12).
What are the key properties of 6-methyl-2-(oxetan-3-ylsulfanylmethyl)pyrimidin-4-amine?
6-methyl-2-(oxetan-3-ylsulfanylmethyl)pyrimidin-4-amine has a molecular weight of 211.29 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(oxetan-3-ylsulfanylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80654809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).