2-(cyclopropylamino)-4-pyrimidin-2-ylsulfanylbutan-1-ol

C11H17N3OS — CID 64807050

IUPAC2-(cyclopropylamino)-4-pyrimidin-2-ylsulfanylbutan-1-ol
SMILESOCC(CCSc1ncccn1)NC1CC1
InChIInChI=1S/C11H17N3OS/c15-8-10(14-9-2-3-9)4-7-16-11-12-5-1-6-13-11/h1,5-6,9-10,14-15H,2-4,7-8H2
InChIKeyLYZUJYUJTJVQPL-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.07
Rot. Bonds7

About 2-(cyclopropylamino)-4-pyrimidin-2-ylsulfanylbutan-1-ol

2-(cyclopropylamino)-4-pyrimidin-2-ylsulfanylbutan-1-ol (PubChem CID 64807050) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-pyrimidin-2-ylsulfanylbutan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-pyrimidin-2-ylsulfanylbutan-1-ol
PubChem CID64807050
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-(cyclopropylamino)-4-pyrimidin-2-ylsulfanylbutan-1-ol
SMILESOCC(CCSc1ncccn1)NC1CC1
InChIInChI=1S/C11H17N3OS/c15-8-10(14-9-2-3-9)4-7-16-11-12-5-1-6-13-11/h1,5-6,9-10,14-15H,2-4,7-8H2
InChIKeyLYZUJYUJTJVQPL-UHFFFAOYSA-N
XLogP1.07
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-pyrimidin-2-ylsulfanylbutan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-4-pyrimidin-2-ylsulfanylbutan-1-ol (CID 64807050) is 2-(cyclopropylamino)-4-pyrimidin-2-ylsulfanylbutan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-4-pyrimidin-2-ylsulfanylbutan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-4-pyrimidin-2-ylsulfanylbutan-1-ol is OCC(CCSc1ncccn1)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-pyrimidin-2-ylsulfanylbutan-1-ol?
The InChIKey is LYZUJYUJTJVQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c15-8-10(14-9-2-3-9)4-7-16-11-12-5-1-6-13-11/h1,5-6,9-10,14-15H,2-4,7-8H2.
What are the key properties of 2-(cyclopropylamino)-4-pyrimidin-2-ylsulfanylbutan-1-ol?
2-(cyclopropylamino)-4-pyrimidin-2-ylsulfanylbutan-1-ol has a molecular weight of 239.34 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-pyrimidin-2-ylsulfanylbutan-1-ol is sourced from PubChem (CID 64807050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).