1-amino-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol

C8H13N3OS — CID 62267149

IUPAC1-amino-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol
SMILESCc1ccnc(SCC(O)CN)n1
InChIInChI=1S/C8H13N3OS/c1-6-2-3-10-8(11-6)13-5-7(12)4-9/h2-3,7,12H,4-5,9H2,1H3
InChIKeyRDHRFGICHZLUGH-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.20
Rot. Bonds4

About 1-amino-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol

1-amino-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol (PubChem CID 62267149) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 1-amino-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol
PubChem CID62267149
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name1-amino-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol
SMILESCc1ccnc(SCC(O)CN)n1
InChIInChI=1S/C8H13N3OS/c1-6-2-3-10-8(11-6)13-5-7(12)4-9/h2-3,7,12H,4-5,9H2,1H3
InChIKeyRDHRFGICHZLUGH-UHFFFAOYSA-N
XLogP0.20
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol?
The IUPAC name of 1-amino-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol (CID 62267149) is 1-amino-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol?
The canonical SMILES for 1-amino-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol is Cc1ccnc(SCC(O)CN)n1.
What is the InChIKey of 1-amino-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol?
The InChIKey is RDHRFGICHZLUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-6-2-3-10-8(11-6)13-5-7(12)4-9/h2-3,7,12H,4-5,9H2,1H3.
What are the key properties of 1-amino-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol?
1-amino-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol has a molecular weight of 199.28 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol is sourced from PubChem (CID 62267149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).