3-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]sulfanylbutan-1-ol

C11H19N3O2S — CID 113401747

IUPAC3-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]sulfanylbutan-1-ol
SMILESCCOCc1nc(N)cc(SC(C)CCO)n1
InChIInChI=1S/C11H19N3O2S/c1-3-16-7-10-13-9(12)6-11(14-10)17-8(2)4-5-15/h6,8,15H,3-5,7H2,1-2H3,(H2,12,13,14)
InChIKeyHGZJGCYKWNCJIZ-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.46
Rot. Bonds7

About 3-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]sulfanylbutan-1-ol

3-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]sulfanylbutan-1-ol (PubChem CID 113401747) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]sulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]sulfanylbutan-1-ol
PubChem CID113401747
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name3-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]sulfanylbutan-1-ol
SMILESCCOCc1nc(N)cc(SC(C)CCO)n1
InChIInChI=1S/C11H19N3O2S/c1-3-16-7-10-13-9(12)6-11(14-10)17-8(2)4-5-15/h6,8,15H,3-5,7H2,1-2H3,(H2,12,13,14)
InChIKeyHGZJGCYKWNCJIZ-UHFFFAOYSA-N
XLogP1.46
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]sulfanylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(6-amino-2-cyclopropylpyrimidin-4-yl)sulfanylbutan-1-ol
CID 80964672
2-ethyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-amine
CID 107765529
3-(ethoxymethylsulfanyl)butan-1-ol
CID 66138808
2-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol
CID 106198708
3-(2-aminopyrimidin-4-yl)sulfanylbutan-1-ol
CID 80890575
2-(methoxymethyl)-6-(2-methylbutylsulfanyl)pyrimidin-4-amine
CID 107765753
3-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]sulfanylbutan-1-ol
CID 80964216
3-[2-methyl-6-(methylamino)pyrimidin-4-yl]sulfanylbutan-1-ol
CID 80890129
3-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol
CID 80890311
3-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
CID 80937587
3-(6-propylpyrimidin-4-yl)sulfanylbutan-1-ol
CID 66137882
1-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159530

Frequently Asked Questions

What is the IUPAC name of 3-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]sulfanylbutan-1-ol?
The IUPAC name of 3-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]sulfanylbutan-1-ol (CID 113401747) is 3-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]sulfanylbutan-1-ol.
What is the SMILES notation for 3-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]sulfanylbutan-1-ol?
The canonical SMILES for 3-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]sulfanylbutan-1-ol is CCOCc1nc(N)cc(SC(C)CCO)n1.
What is the InChIKey of 3-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]sulfanylbutan-1-ol?
The InChIKey is HGZJGCYKWNCJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-3-16-7-10-13-9(12)6-11(14-10)17-8(2)4-5-15/h6,8,15H,3-5,7H2,1-2H3,(H2,12,13,14).
What are the key properties of 3-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]sulfanylbutan-1-ol?
3-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]sulfanylbutan-1-ol has a molecular weight of 257.36 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]sulfanylbutan-1-ol is sourced from PubChem (CID 113401747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).