3-(6-amino-2-cyclopropylpyrimidin-4-yl)sulfanylbutan-1-ol

C11H17N3OS — CID 80964672

IUPAC3-(6-amino-2-cyclopropylpyrimidin-4-yl)sulfanylbutan-1-ol
SMILESCC(CCO)Sc1cc(N)nc(C2CC2)n1
InChIInChI=1S/C11H17N3OS/c1-7(4-5-15)16-10-6-9(12)13-11(14-10)8-2-3-8/h6-8,15H,2-5H2,1H3,(H2,12,13,14)
InChIKeySHBABZGRSHKQJB-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.80
Rot. Bonds5

About 3-(6-amino-2-cyclopropylpyrimidin-4-yl)sulfanylbutan-1-ol

3-(6-amino-2-cyclopropylpyrimidin-4-yl)sulfanylbutan-1-ol (PubChem CID 80964672) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-(6-amino-2-cyclopropylpyrimidin-4-yl)sulfanylbutan-1-ol.

Molecular Properties

Compound Name3-(6-amino-2-cyclopropylpyrimidin-4-yl)sulfanylbutan-1-ol
PubChem CID80964672
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name3-(6-amino-2-cyclopropylpyrimidin-4-yl)sulfanylbutan-1-ol
SMILESCC(CCO)Sc1cc(N)nc(C2CC2)n1
InChIInChI=1S/C11H17N3OS/c1-7(4-5-15)16-10-6-9(12)13-11(14-10)8-2-3-8/h6-8,15H,2-5H2,1H3,(H2,12,13,14)
InChIKeySHBABZGRSHKQJB-UHFFFAOYSA-N
XLogP1.80
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-2-cyclopropylpyrimidin-4-yl)sulfanylbutan-1-ol?
The IUPAC name of 3-(6-amino-2-cyclopropylpyrimidin-4-yl)sulfanylbutan-1-ol (CID 80964672) is 3-(6-amino-2-cyclopropylpyrimidin-4-yl)sulfanylbutan-1-ol.
What is the SMILES notation for 3-(6-amino-2-cyclopropylpyrimidin-4-yl)sulfanylbutan-1-ol?
The canonical SMILES for 3-(6-amino-2-cyclopropylpyrimidin-4-yl)sulfanylbutan-1-ol is CC(CCO)Sc1cc(N)nc(C2CC2)n1.
What is the InChIKey of 3-(6-amino-2-cyclopropylpyrimidin-4-yl)sulfanylbutan-1-ol?
The InChIKey is SHBABZGRSHKQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-7(4-5-15)16-10-6-9(12)13-11(14-10)8-2-3-8/h6-8,15H,2-5H2,1H3,(H2,12,13,14).
What are the key properties of 3-(6-amino-2-cyclopropylpyrimidin-4-yl)sulfanylbutan-1-ol?
3-(6-amino-2-cyclopropylpyrimidin-4-yl)sulfanylbutan-1-ol has a molecular weight of 239.34 g/mol, XLogP of 1.80, 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-cyclopropylpyrimidin-4-yl)sulfanylbutan-1-ol is sourced from PubChem (CID 80964672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).