5-(2-methylsulfanylethoxy)pyrimidin-2-amine

C7H11N3OS — CID 58339653

IUPAC5-(2-methylsulfanylethoxy)pyrimidin-2-amine
SMILESCSCCOc1cnc(N)nc1
InChIInChI=1S/C7H11N3OS/c1-12-3-2-11-6-4-9-7(8)10-5-6/h4-5H,2-3H2,1H3,(H2,8,9,10)
InChIKeyPZXBGPBKYUSLBG-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.80
Rot. Bonds4

About 5-(2-methylsulfanylethoxy)pyrimidin-2-amine

5-(2-methylsulfanylethoxy)pyrimidin-2-amine (PubChem CID 58339653) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 5-(2-methylsulfanylethoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(2-methylsulfanylethoxy)pyrimidin-2-amine
PubChem CID58339653
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name5-(2-methylsulfanylethoxy)pyrimidin-2-amine
SMILESCSCCOc1cnc(N)nc1
InChIInChI=1S/C7H11N3OS/c1-12-3-2-11-6-4-9-7(8)10-5-6/h4-5H,2-3H2,1H3,(H2,8,9,10)
InChIKeyPZXBGPBKYUSLBG-UHFFFAOYSA-N
XLogP0.80
TPSA61.03 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 ≤ 50.80
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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Related Compounds

5-(2-aminoethoxy)pyrimidin-2-amine
CID 117229813
5-[3-(methylamino)propoxy]pyrimidin-2-amine
CID 117231268
N-benzyl-5-(2-methylsulfanylethoxy)pyrimidin-2-amine
CID 71738065
ethane;2-methylsulfanylethoxybenzene
CID 54419236
N-[(4-methoxyphenyl)methyl]-5-(2-methylsulfanylethoxy)pyrimidin-2-amine
CID 58339649
4-(2-aminopyrimidin-5-yl)oxybutanoic acid;yttrium
CID 177001699
5-propylsulfanylpyrimidin-2-amine
CID 119083338
1-methoxy-3-(2-methylsulfanylethoxy)benzene
CID 103601143
1-amino-3-[4-(2-methylsulfanylethoxy)phenoxy]propan-2-ol
CID 71364966
5-(2-methylsulfanylethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 71738710
1-[4-(2-methylsulfanylethoxy)phenyl]propan-1-ol
CID 115900486
3-methoxy-5-(2-methylsulfanylethoxy)benzenecarboximidamide
CID 103567791

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfanylethoxy)pyrimidin-2-amine?
The IUPAC name of 5-(2-methylsulfanylethoxy)pyrimidin-2-amine (CID 58339653) is 5-(2-methylsulfanylethoxy)pyrimidin-2-amine.
What is the SMILES notation for 5-(2-methylsulfanylethoxy)pyrimidin-2-amine?
The canonical SMILES for 5-(2-methylsulfanylethoxy)pyrimidin-2-amine is CSCCOc1cnc(N)nc1.
What is the InChIKey of 5-(2-methylsulfanylethoxy)pyrimidin-2-amine?
The InChIKey is PZXBGPBKYUSLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-12-3-2-11-6-4-9-7(8)10-5-6/h4-5H,2-3H2,1H3,(H2,8,9,10).
What are the key properties of 5-(2-methylsulfanylethoxy)pyrimidin-2-amine?
5-(2-methylsulfanylethoxy)pyrimidin-2-amine has a molecular weight of 185.25 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfanylethoxy)pyrimidin-2-amine is sourced from PubChem (CID 58339653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).