N-ethyl-1-methoxy-3-pyrimidin-4-ylsulfanylpropan-2-amine

C10H17N3OS — CID 107511428

IUPACN-ethyl-1-methoxy-3-pyrimidin-4-ylsulfanylpropan-2-amine
SMILESCCNC(COC)CSc1ccncn1
InChIInChI=1S/C10H17N3OS/c1-3-12-9(6-14-2)7-15-10-4-5-11-8-13-10/h4-5,8-9,12H,3,6-7H2,1-2H3
InChIKeyNIJRERFQAJRMDW-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.19
Rot. Bonds7

About N-ethyl-1-methoxy-3-pyrimidin-4-ylsulfanylpropan-2-amine

N-ethyl-1-methoxy-3-pyrimidin-4-ylsulfanylpropan-2-amine (PubChem CID 107511428) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-ethyl-1-methoxy-3-pyrimidin-4-ylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-methoxy-3-pyrimidin-4-ylsulfanylpropan-2-amine
PubChem CID107511428
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-ethyl-1-methoxy-3-pyrimidin-4-ylsulfanylpropan-2-amine
SMILESCCNC(COC)CSc1ccncn1
InChIInChI=1S/C10H17N3OS/c1-3-12-9(6-14-2)7-15-10-4-5-11-8-13-10/h4-5,8-9,12H,3,6-7H2,1-2H3
InChIKeyNIJRERFQAJRMDW-UHFFFAOYSA-N
XLogP1.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methoxy-3-pyrimidin-4-ylsulfanylpropan-2-amine?
The IUPAC name of N-ethyl-1-methoxy-3-pyrimidin-4-ylsulfanylpropan-2-amine (CID 107511428) is N-ethyl-1-methoxy-3-pyrimidin-4-ylsulfanylpropan-2-amine.
What is the SMILES notation for N-ethyl-1-methoxy-3-pyrimidin-4-ylsulfanylpropan-2-amine?
The canonical SMILES for N-ethyl-1-methoxy-3-pyrimidin-4-ylsulfanylpropan-2-amine is CCNC(COC)CSc1ccncn1.
What is the InChIKey of N-ethyl-1-methoxy-3-pyrimidin-4-ylsulfanylpropan-2-amine?
The InChIKey is NIJRERFQAJRMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-12-9(6-14-2)7-15-10-4-5-11-8-13-10/h4-5,8-9,12H,3,6-7H2,1-2H3.
What are the key properties of N-ethyl-1-methoxy-3-pyrimidin-4-ylsulfanylpropan-2-amine?
N-ethyl-1-methoxy-3-pyrimidin-4-ylsulfanylpropan-2-amine has a molecular weight of 227.33 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methoxy-3-pyrimidin-4-ylsulfanylpropan-2-amine is sourced from PubChem (CID 107511428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).