3-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol

C10H17N3OS — CID 80937587

IUPAC3-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
SMILESCCc1nc(N)cc(SCC(C)CO)n1
InChIInChI=1S/C10H17N3OS/c1-3-9-12-8(11)4-10(13-9)15-6-7(2)5-14/h4,7,14H,3,5-6H2,1-2H3,(H2,11,12,13)
InChIKeyNFPOVXXIWSBQPE-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.34
Rot. Bonds5

About 3-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol

3-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol (PubChem CID 80937587) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
PubChem CID80937587
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
SMILESCCc1nc(N)cc(SCC(C)CO)n1
InChIInChI=1S/C10H17N3OS/c1-3-9-12-8(11)4-10(13-9)15-6-7(2)5-14/h4,7,14H,3,5-6H2,1-2H3,(H2,11,12,13)
InChIKeyNFPOVXXIWSBQPE-UHFFFAOYSA-N
XLogP1.34
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol
CID 80937744
3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol
CID 102720381
2-(methoxymethyl)-6-(2-methylbutylsulfanyl)pyrimidin-4-amine
CID 107765753
2-ethyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-amine
CID 107765529
methyl 2-(6-amino-2-ethylpyrimidin-4-yl)sulfanylacetate
CID 80937418
3-(2-amino-6-hydrazinylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
CID 80929005
2-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-N-propylacetamide
CID 114235153
3-(2,6-dimethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
CID 66103304
3-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
CID 80545629
3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropane-1,2-diol
CID 80938523
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylpropan-1-ol
CID 66105522
6-(2-methylpropylsulfanyl)pyrimidine-2,4-diamine
CID 80893169

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol?
The IUPAC name of 3-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol (CID 80937587) is 3-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol.
What is the SMILES notation for 3-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol?
The canonical SMILES for 3-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol is CCc1nc(N)cc(SCC(C)CO)n1.
What is the InChIKey of 3-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol?
The InChIKey is NFPOVXXIWSBQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-9-12-8(11)4-10(13-9)15-6-7(2)5-14/h4,7,14H,3,5-6H2,1-2H3,(H2,11,12,13).
What are the key properties of 3-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol?
3-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol has a molecular weight of 227.33 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol is sourced from PubChem (CID 80937587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).