6-methyl-2-[2-(oxolan-2-yl)ethylsulfanyl]pyrimidin-4-amine

C11H17N3OS — CID 115331111

IUPAC6-methyl-2-[2-(oxolan-2-yl)ethylsulfanyl]pyrimidin-4-amine
SMILESCc1cc(N)nc(SCCC2CCCO2)n1
InChIInChI=1S/C11H17N3OS/c1-8-7-10(12)14-11(13-8)16-6-4-9-3-2-5-15-9/h7,9H,2-6H2,1H3,(H2,12,13,14)
InChIKeyNCOUTHIKKQZBKL-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.03
Rot. Bonds4

About 6-methyl-2-[2-(oxolan-2-yl)ethylsulfanyl]pyrimidin-4-amine

6-methyl-2-[2-(oxolan-2-yl)ethylsulfanyl]pyrimidin-4-amine (PubChem CID 115331111) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 6-methyl-2-[2-(oxolan-2-yl)ethylsulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-[2-(oxolan-2-yl)ethylsulfanyl]pyrimidin-4-amine
PubChem CID115331111
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name6-methyl-2-[2-(oxolan-2-yl)ethylsulfanyl]pyrimidin-4-amine
SMILESCc1cc(N)nc(SCCC2CCCO2)n1
InChIInChI=1S/C11H17N3OS/c1-8-7-10(12)14-11(13-8)16-6-4-9-3-2-5-15-9/h7,9H,2-6H2,1H3,(H2,12,13,14)
InChIKeyNCOUTHIKKQZBKL-UHFFFAOYSA-N
XLogP2.03
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyclopropylethylsulfanyl)-6-methylpyrimidin-4-amine
CID 115331181
6-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidine-4-carbonitrile
CID 107551519
2-(4-methylpyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)ethanamine
CID 62580638
2-[2-(oxolan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-amine
CID 65166408
6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 23993069
3-methoxy-4-[2-(oxolan-2-yl)ethylsulfanyl]aniline
CID 79830443
[5-[2-(oxolan-2-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102630087
4-chloro-2-[2-(oxolan-2-yl)ethylsulfanyl]aniline
CID 79528225
3-fluoro-4-[2-(oxolan-2-yl)ethylsulfanyl]aniline
CID 65160977
5-bromo-2-[2-(oxolan-2-yl)ethylsulfanyl]aniline
CID 65161086
5-(4-amino-6-methylpyrimidin-2-yl)sulfanylpentan-1-ol
CID 60613840
6-methyl-2-pent-3-ynylsulfanylpyrimidin-4-amine
CID 104744126

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-(oxolan-2-yl)ethylsulfanyl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-[2-(oxolan-2-yl)ethylsulfanyl]pyrimidin-4-amine (CID 115331111) is 6-methyl-2-[2-(oxolan-2-yl)ethylsulfanyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-[2-(oxolan-2-yl)ethylsulfanyl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-[2-(oxolan-2-yl)ethylsulfanyl]pyrimidin-4-amine is Cc1cc(N)nc(SCCC2CCCO2)n1.
What is the InChIKey of 6-methyl-2-[2-(oxolan-2-yl)ethylsulfanyl]pyrimidin-4-amine?
The InChIKey is NCOUTHIKKQZBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8-7-10(12)14-11(13-8)16-6-4-9-3-2-5-15-9/h7,9H,2-6H2,1H3,(H2,12,13,14).
What are the key properties of 6-methyl-2-[2-(oxolan-2-yl)ethylsulfanyl]pyrimidin-4-amine?
6-methyl-2-[2-(oxolan-2-yl)ethylsulfanyl]pyrimidin-4-amine has a molecular weight of 239.34 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-(oxolan-2-yl)ethylsulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 115331111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).