6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine

C9H13N3OS — CID 106497698

IUPAC6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine
SMILESNc1cc(SCC2CCCO2)ncn1
InChIInChI=1S/C9H13N3OS/c10-8-4-9(12-6-11-8)14-5-7-2-1-3-13-7/h4,6-7H,1-3,5H2,(H2,10,11,12)
InChIKeyZFWIDGVRDSDIEJ-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.33
Rot. Bonds3

About 6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine

6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine (PubChem CID 106497698) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine
PubChem CID106497698
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine
SMILESNc1cc(SCC2CCCO2)ncn1
InChIInChI=1S/C9H13N3OS/c10-8-4-9(12-6-11-8)14-5-7-2-1-3-13-7/h4,6-7H,1-3,5H2,(H2,10,11,12)
InChIKeyZFWIDGVRDSDIEJ-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(oxolan-2-ylmethylsulfanyl)pyridin-3-amine
CID 43301504
3-[[(2R)-oxolan-2-yl]methylsulfanyl]pyrazin-2-amine
CID 130831521
5-bromo-6-(oxolan-2-ylmethylsulfanyl)pyridin-3-amine
CID 106494015
4-(oxolan-2-ylmethylsulfanyl)aniline
CID 43299447
3-(oxolan-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
CID 4257341
3-(oxolan-2-ylmethylsulfanyl)-1,2,4-thiadiazol-5-amine
CID 3671758
N'-hydroxy-5-(oxolan-2-ylmethylsulfanyl)pyrazine-2-carboximidamide
CID 136955362
3-methyl-5-(oxolan-2-ylmethylsulfanyl)aniline
CID 106493960
N,2-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine
CID 106497707
5-(oxolan-2-ylmethylsulfanyl)-2H-tetrazole
CID 130639077
[4-(oxolan-2-ylmethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 106498029
4-chloro-6-(oxolan-2-ylmethylsulfanyl)-2-(trifluoromethyl)pyrimidine
CID 106768785

Frequently Asked Questions

What is the IUPAC name of 6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine?
The IUPAC name of 6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine (CID 106497698) is 6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for 6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine is Nc1cc(SCC2CCCO2)ncn1.
What is the InChIKey of 6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine?
The InChIKey is ZFWIDGVRDSDIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c10-8-4-9(12-6-11-8)14-5-7-2-1-3-13-7/h4,6-7H,1-3,5H2,(H2,10,11,12).
What are the key properties of 6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine?
6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine has a molecular weight of 211.29 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 106497698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).