2-amino-2-phenyl-3-pyrimidin-4-ylsulfanylpropan-1-ol

C13H15N3OS — CID 64806120

IUPAC2-amino-2-phenyl-3-pyrimidin-4-ylsulfanylpropan-1-ol
SMILESNC(CO)(CSc1ccncn1)c1ccccc1
InChIInChI=1S/C13H15N3OS/c14-13(8-17,11-4-2-1-3-5-11)9-18-12-6-7-15-10-16-12/h1-7,10,17H,8-9,14H2
InChIKeyLXUTYXONMDGPDM-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.42
Rot. Bonds5

About 2-amino-2-phenyl-3-pyrimidin-4-ylsulfanylpropan-1-ol

2-amino-2-phenyl-3-pyrimidin-4-ylsulfanylpropan-1-ol (PubChem CID 64806120) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-amino-2-phenyl-3-pyrimidin-4-ylsulfanylpropan-1-ol.

Molecular Properties

Compound Name2-amino-2-phenyl-3-pyrimidin-4-ylsulfanylpropan-1-ol
PubChem CID64806120
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-amino-2-phenyl-3-pyrimidin-4-ylsulfanylpropan-1-ol
SMILESNC(CO)(CSc1ccncn1)c1ccccc1
InChIInChI=1S/C13H15N3OS/c14-13(8-17,11-4-2-1-3-5-11)9-18-12-6-7-15-10-16-12/h1-7,10,17H,8-9,14H2
InChIKeyLXUTYXONMDGPDM-UHFFFAOYSA-N
XLogP1.42
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-3-pyrimidin-4-ylsulfanylpropan-1-ol?
The IUPAC name of 2-amino-2-phenyl-3-pyrimidin-4-ylsulfanylpropan-1-ol (CID 64806120) is 2-amino-2-phenyl-3-pyrimidin-4-ylsulfanylpropan-1-ol.
What is the SMILES notation for 2-amino-2-phenyl-3-pyrimidin-4-ylsulfanylpropan-1-ol?
The canonical SMILES for 2-amino-2-phenyl-3-pyrimidin-4-ylsulfanylpropan-1-ol is NC(CO)(CSc1ccncn1)c1ccccc1.
What is the InChIKey of 2-amino-2-phenyl-3-pyrimidin-4-ylsulfanylpropan-1-ol?
The InChIKey is LXUTYXONMDGPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c14-13(8-17,11-4-2-1-3-5-11)9-18-12-6-7-15-10-16-12/h1-7,10,17H,8-9,14H2.
What are the key properties of 2-amino-2-phenyl-3-pyrimidin-4-ylsulfanylpropan-1-ol?
2-amino-2-phenyl-3-pyrimidin-4-ylsulfanylpropan-1-ol has a molecular weight of 261.35 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-3-pyrimidin-4-ylsulfanylpropan-1-ol is sourced from PubChem (CID 64806120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).