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

C10H17N3OS — CID 62267498

IUPAC1-(ethylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol
SMILESCCNCC(O)CSc1nccc(C)n1
InChIInChI=1S/C10H17N3OS/c1-3-11-6-9(14)7-15-10-12-5-4-8(2)13-10/h4-5,9,11,14H,3,6-7H2,1-2H3
InChIKeyITHXQVRPAGZUEY-UHFFFAOYSA-N
MW227.33 g/mol
LogP0.85
Rot. Bonds6

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

1-(ethylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol (PubChem CID 62267498) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-(ethylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(ethylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol
PubChem CID62267498
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name1-(ethylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol
SMILESCCNCC(O)CSc1nccc(C)n1
InChIInChI=1S/C10H17N3OS/c1-3-11-6-9(14)7-15-10-12-5-4-8(2)13-10/h4-5,9,11,14H,3,6-7H2,1-2H3
InChIKeyITHXQVRPAGZUEY-UHFFFAOYSA-N
XLogP0.85
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol?
The IUPAC name of 1-(ethylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol (CID 62267498) is 1-(ethylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(ethylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(ethylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol is CCNCC(O)CSc1nccc(C)n1.
What is the InChIKey of 1-(ethylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol?
The InChIKey is ITHXQVRPAGZUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-11-6-9(14)7-15-10-12-5-4-8(2)13-10/h4-5,9,11,14H,3,6-7H2,1-2H3.
What are the key properties of 1-(ethylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol?
1-(ethylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol has a molecular weight of 227.33 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol is sourced from PubChem (CID 62267498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).