2-(4,6-dichloropyrimidin-5-yl)sulfanylpropan-1-amine

C7H9Cl2N3S — CID 175149858

IUPAC2-(4,6-dichloropyrimidin-5-yl)sulfanylpropan-1-amine
SMILESCC(CN)Sc1c(Cl)ncnc1Cl
InChIInChI=1S/C7H9Cl2N3S/c1-4(2-10)13-5-6(8)11-3-12-7(5)9/h3-4H,2,10H2,1H3
InChIKeyVQUHOCCNQHHCEN-UHFFFAOYSA-N
MW238.14 g/mol
LogP2.22
Rot. Bonds3

About 2-(4,6-dichloropyrimidin-5-yl)sulfanylpropan-1-amine

2-(4,6-dichloropyrimidin-5-yl)sulfanylpropan-1-amine (PubChem CID 175149858) has the molecular formula C7H9Cl2N3S and a molecular weight of 238.14 g/mol. Its IUPAC name is 2-(4,6-dichloropyrimidin-5-yl)sulfanylpropan-1-amine.

Molecular Properties

Compound Name2-(4,6-dichloropyrimidin-5-yl)sulfanylpropan-1-amine
PubChem CID175149858
Molecular FormulaC7H9Cl2N3S
Molecular Weight238.14 g/mol
Exact Mass236.99
IUPAC Name2-(4,6-dichloropyrimidin-5-yl)sulfanylpropan-1-amine
SMILESCC(CN)Sc1c(Cl)ncnc1Cl
InChIInChI=1S/C7H9Cl2N3S/c1-4(2-10)13-5-6(8)11-3-12-7(5)9/h3-4H,2,10H2,1H3
InChIKeyVQUHOCCNQHHCEN-UHFFFAOYSA-N
XLogP2.22
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.14
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dichloropyrimidin-5-yl)sulfanylpropan-1-amine?
The IUPAC name of 2-(4,6-dichloropyrimidin-5-yl)sulfanylpropan-1-amine (CID 175149858) is 2-(4,6-dichloropyrimidin-5-yl)sulfanylpropan-1-amine.
What is the SMILES notation for 2-(4,6-dichloropyrimidin-5-yl)sulfanylpropan-1-amine?
The canonical SMILES for 2-(4,6-dichloropyrimidin-5-yl)sulfanylpropan-1-amine is CC(CN)Sc1c(Cl)ncnc1Cl.
What is the InChIKey of 2-(4,6-dichloropyrimidin-5-yl)sulfanylpropan-1-amine?
The InChIKey is VQUHOCCNQHHCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2N3S/c1-4(2-10)13-5-6(8)11-3-12-7(5)9/h3-4H,2,10H2,1H3.
What are the key properties of 2-(4,6-dichloropyrimidin-5-yl)sulfanylpropan-1-amine?
2-(4,6-dichloropyrimidin-5-yl)sulfanylpropan-1-amine has a molecular weight of 238.14 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dichloropyrimidin-5-yl)sulfanylpropan-1-amine is sourced from PubChem (CID 175149858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).