1-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)propan-1-amine

C8H11Cl2N3S — CID 175896983

IUPAC1-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)propan-1-amine
SMILESCCC(N)c1c(Cl)nc(SC)nc1Cl
InChIInChI=1S/C8H11Cl2N3S/c1-3-4(11)5-6(9)12-8(14-2)13-7(5)10/h4H,3,11H2,1-2H3
InChIKeyQMJLGVXHZVASIW-UHFFFAOYSA-N
MW252.17 g/mol
LogP2.92
Rot. Bonds3

About 1-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)propan-1-amine

1-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)propan-1-amine (PubChem CID 175896983) has the molecular formula C8H11Cl2N3S and a molecular weight of 252.17 g/mol. Its IUPAC name is 1-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)propan-1-amine
PubChem CID175896983
Molecular FormulaC8H11Cl2N3S
Molecular Weight252.17 g/mol
Exact Mass251.01
IUPAC Name1-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)propan-1-amine
SMILESCCC(N)c1c(Cl)nc(SC)nc1Cl
InChIInChI=1S/C8H11Cl2N3S/c1-3-4(11)5-6(9)12-8(14-2)13-7(5)10/h4H,3,11H2,1-2H3
InChIKeyQMJLGVXHZVASIW-UHFFFAOYSA-N
XLogP2.92
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.17
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)propan-1-amine?
The IUPAC name of 1-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)propan-1-amine (CID 175896983) is 1-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)propan-1-amine.
What is the SMILES notation for 1-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)propan-1-amine?
The canonical SMILES for 1-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)propan-1-amine is CCC(N)c1c(Cl)nc(SC)nc1Cl.
What is the InChIKey of 1-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)propan-1-amine?
The InChIKey is QMJLGVXHZVASIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2N3S/c1-3-4(11)5-6(9)12-8(14-2)13-7(5)10/h4H,3,11H2,1-2H3.
What are the key properties of 1-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)propan-1-amine?
1-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)propan-1-amine has a molecular weight of 252.17 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)propan-1-amine is sourced from PubChem (CID 175896983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).