5-(aminomethyl)-2-(2,6-dichloro-4-pyridinyl)-6-methylsulfanylpyrimidin-4-amine

C11H11Cl2N5S — CID 170875437

IUPAC5-(aminomethyl)-2-(2,6-dichloro-4-pyridinyl)-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(-c2cc(Cl)nc(Cl)c2)nc(N)c1CN
InChIInChI=1S/C11H11Cl2N5S/c1-19-11-6(4-14)9(15)17-10(18-11)5-2-7(12)16-8(13)3-5/h2-3H,4,14H2,1H3,(H2,15,17,18)
InChIKeyYURDSFZOVXGVPB-UHFFFAOYSA-N
MW316.22 g/mol
LogP2.61
Rot. Bonds3

About 5-(aminomethyl)-2-(2,6-dichloro-4-pyridinyl)-6-methylsulfanylpyrimidin-4-amine

5-(aminomethyl)-2-(2,6-dichloro-4-pyridinyl)-6-methylsulfanylpyrimidin-4-amine (PubChem CID 170875437) has the molecular formula C11H11Cl2N5S and a molecular weight of 316.22 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(2,6-dichloro-4-pyridinyl)-6-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(aminomethyl)-2-(2,6-dichloro-4-pyridinyl)-6-methylsulfanylpyrimidin-4-amine
PubChem CID170875437
Molecular FormulaC11H11Cl2N5S
Molecular Weight316.22 g/mol
Exact Mass315.01
IUPAC Name5-(aminomethyl)-2-(2,6-dichloro-4-pyridinyl)-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(-c2cc(Cl)nc(Cl)c2)nc(N)c1CN
InChIInChI=1S/C11H11Cl2N5S/c1-19-11-6(4-14)9(15)17-10(18-11)5-2-7(12)16-8(13)3-5/h2-3H,4,14H2,1H3,(H2,15,17,18)
InChIKeyYURDSFZOVXGVPB-UHFFFAOYSA-N
XLogP2.61
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.22
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-(aminomethyl)-2-(2,6-dichloro-4-pyridinyl)-6-methylsulfanylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-(2,6-dichloro-4-pyridinyl)-6-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 5-(aminomethyl)-2-(2,6-dichloro-4-pyridinyl)-6-methylsulfanylpyrimidin-4-amine (CID 170875437) is 5-(aminomethyl)-2-(2,6-dichloro-4-pyridinyl)-6-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 5-(aminomethyl)-2-(2,6-dichloro-4-pyridinyl)-6-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 5-(aminomethyl)-2-(2,6-dichloro-4-pyridinyl)-6-methylsulfanylpyrimidin-4-amine is CSc1nc(-c2cc(Cl)nc(Cl)c2)nc(N)c1CN.
What is the InChIKey of 5-(aminomethyl)-2-(2,6-dichloro-4-pyridinyl)-6-methylsulfanylpyrimidin-4-amine?
The InChIKey is YURDSFZOVXGVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N5S/c1-19-11-6(4-14)9(15)17-10(18-11)5-2-7(12)16-8(13)3-5/h2-3H,4,14H2,1H3,(H2,15,17,18).
What are the key properties of 5-(aminomethyl)-2-(2,6-dichloro-4-pyridinyl)-6-methylsulfanylpyrimidin-4-amine?
5-(aminomethyl)-2-(2,6-dichloro-4-pyridinyl)-6-methylsulfanylpyrimidin-4-amine has a molecular weight of 316.22 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-(2,6-dichloro-4-pyridinyl)-6-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 170875437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).