[5-(chloromethyl)-2-methylsulfanylpyrimidin-4-yl]methanamine;hydrochloride

C7H11Cl2N3S — CID 68701908

IUPAC[5-(chloromethyl)-2-methylsulfanylpyrimidin-4-yl]methanamine;hydrochloride
SMILESCSc1ncc(CCl)c(CN)n1.Cl
InChIInChI=1S/C7H10ClN3S.ClH/c1-12-7-10-4-5(2-8)6(3-9)11-7;/h4H,2-3,9H2,1H3;1H
InChIKeyKIVMETMSAHAYJX-UHFFFAOYSA-N
MW240.16 g/mol
LogP1.82
Rot. Bonds3

About [5-(chloromethyl)-2-methylsulfanylpyrimidin-4-yl]methanamine;hydrochloride

[5-(chloromethyl)-2-methylsulfanylpyrimidin-4-yl]methanamine;hydrochloride (PubChem CID 68701908) has the molecular formula C7H11Cl2N3S and a molecular weight of 240.16 g/mol. Its IUPAC name is [5-(chloromethyl)-2-methylsulfanylpyrimidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[5-(chloromethyl)-2-methylsulfanylpyrimidin-4-yl]methanamine;hydrochloride
PubChem CID68701908
Molecular FormulaC7H11Cl2N3S
Molecular Weight240.16 g/mol
Exact Mass239.01
IUPAC Name[5-(chloromethyl)-2-methylsulfanylpyrimidin-4-yl]methanamine;hydrochloride
SMILESCSc1ncc(CCl)c(CN)n1.Cl
InChIInChI=1S/C7H10ClN3S.ClH/c1-12-7-10-4-5(2-8)6(3-9)11-7;/h4H,2-3,9H2,1H3;1H
InChIKeyKIVMETMSAHAYJX-UHFFFAOYSA-N
XLogP1.82
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.16
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(chloromethyl)-2-methylsulfanylpyrimidin-4-yl]methanamine;hydrochloride?
The IUPAC name of [5-(chloromethyl)-2-methylsulfanylpyrimidin-4-yl]methanamine;hydrochloride (CID 68701908) is [5-(chloromethyl)-2-methylsulfanylpyrimidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [5-(chloromethyl)-2-methylsulfanylpyrimidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for [5-(chloromethyl)-2-methylsulfanylpyrimidin-4-yl]methanamine;hydrochloride is CSc1ncc(CCl)c(CN)n1.Cl.
What is the InChIKey of [5-(chloromethyl)-2-methylsulfanylpyrimidin-4-yl]methanamine;hydrochloride?
The InChIKey is KIVMETMSAHAYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3S.ClH/c1-12-7-10-4-5(2-8)6(3-9)11-7;/h4H,2-3,9H2,1H3;1H.
What are the key properties of [5-(chloromethyl)-2-methylsulfanylpyrimidin-4-yl]methanamine;hydrochloride?
[5-(chloromethyl)-2-methylsulfanylpyrimidin-4-yl]methanamine;hydrochloride has a molecular weight of 240.16 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(chloromethyl)-2-methylsulfanylpyrimidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 68701908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).