(2R)-1-amino-4-(5-methylsulfanylpyrimidin-2-yl)butan-2-ol

C9H15N3OS — CID 158375307

IUPAC(2R)-1-amino-4-(5-methylsulfanylpyrimidin-2-yl)butan-2-ol
SMILESCSc1cnc(CC[C@@H](O)CN)nc1
InChIInChI=1S/C9H15N3OS/c1-14-8-5-11-9(12-6-8)3-2-7(13)4-10/h5-7,13H,2-4,10H2,1H3/t7-/m1/s1
InChIKeyCLXFKTJXTWLNQX-SSDOTTSWSA-N
MW213.31 g/mol
LogP0.45
Rot. Bonds5

About (2R)-1-amino-4-(5-methylsulfanylpyrimidin-2-yl)butan-2-ol

(2R)-1-amino-4-(5-methylsulfanylpyrimidin-2-yl)butan-2-ol (PubChem CID 158375307) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is (2R)-1-amino-4-(5-methylsulfanylpyrimidin-2-yl)butan-2-ol.

Molecular Properties

Compound Name(2R)-1-amino-4-(5-methylsulfanylpyrimidin-2-yl)butan-2-ol
PubChem CID158375307
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name(2R)-1-amino-4-(5-methylsulfanylpyrimidin-2-yl)butan-2-ol
SMILESCSc1cnc(CC[C@@H](O)CN)nc1
InChIInChI=1S/C9H15N3OS/c1-14-8-5-11-9(12-6-8)3-2-7(13)4-10/h5-7,13H,2-4,10H2,1H3/t7-/m1/s1
InChIKeyCLXFKTJXTWLNQX-SSDOTTSWSA-N
XLogP0.45
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-amino-4-(5-methylsulfanylpyrimidin-2-yl)butan-2-ol?
The IUPAC name of (2R)-1-amino-4-(5-methylsulfanylpyrimidin-2-yl)butan-2-ol (CID 158375307) is (2R)-1-amino-4-(5-methylsulfanylpyrimidin-2-yl)butan-2-ol.
What is the SMILES notation for (2R)-1-amino-4-(5-methylsulfanylpyrimidin-2-yl)butan-2-ol?
The canonical SMILES for (2R)-1-amino-4-(5-methylsulfanylpyrimidin-2-yl)butan-2-ol is CSc1cnc(CC[C@@H](O)CN)nc1.
What is the InChIKey of (2R)-1-amino-4-(5-methylsulfanylpyrimidin-2-yl)butan-2-ol?
The InChIKey is CLXFKTJXTWLNQX-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-14-8-5-11-9(12-6-8)3-2-7(13)4-10/h5-7,13H,2-4,10H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-1-amino-4-(5-methylsulfanylpyrimidin-2-yl)butan-2-ol?
(2R)-1-amino-4-(5-methylsulfanylpyrimidin-2-yl)butan-2-ol has a molecular weight of 213.31 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-amino-4-(5-methylsulfanylpyrimidin-2-yl)butan-2-ol is sourced from PubChem (CID 158375307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).