3,5-dichloro-6-N-(1-cyclopropylpropan-2-yl)-2-N-methylpyridine-2,6-diamine

C12H17Cl2N3 — CID 102758446

IUPAC3,5-dichloro-6-N-(1-cyclopropylpropan-2-yl)-2-N-methylpyridine-2,6-diamine
SMILESCNc1nc(NC(C)CC2CC2)c(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N3/c1-7(5-8-3-4-8)16-12-10(14)6-9(13)11(15-2)17-12/h6-8H,3-5H2,1-2H3,(H2,15,16,17)
InChIKeyFWWAGDIBKKBIFW-UHFFFAOYSA-N
MW274.19 g/mol
LogP4.03
Rot. Bonds5

About 3,5-dichloro-6-N-(1-cyclopropylpropan-2-yl)-2-N-methylpyridine-2,6-diamine

3,5-dichloro-6-N-(1-cyclopropylpropan-2-yl)-2-N-methylpyridine-2,6-diamine (PubChem CID 102758446) has the molecular formula C12H17Cl2N3 and a molecular weight of 274.19 g/mol. Its IUPAC name is 3,5-dichloro-6-N-(1-cyclopropylpropan-2-yl)-2-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-(1-cyclopropylpropan-2-yl)-2-N-methylpyridine-2,6-diamine
PubChem CID102758446
Molecular FormulaC12H17Cl2N3
Molecular Weight274.19 g/mol
Exact Mass273.08
IUPAC Name3,5-dichloro-6-N-(1-cyclopropylpropan-2-yl)-2-N-methylpyridine-2,6-diamine
SMILESCNc1nc(NC(C)CC2CC2)c(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N3/c1-7(5-8-3-4-8)16-12-10(14)6-9(13)11(15-2)17-12/h6-8H,3-5H2,1-2H3,(H2,15,16,17)
InChIKeyFWWAGDIBKKBIFW-UHFFFAOYSA-N
XLogP4.03
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,5-dichloro-6-N-(1-cyclopropylpropan-2-yl)-2-N-methylpyridine-2,6-diamine 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 3,5-dichloro-6-N-(1-cyclopropylpropan-2-yl)-2-N-methylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-(1-cyclopropylpropan-2-yl)-2-N-methylpyridine-2,6-diamine (CID 102758446) is 3,5-dichloro-6-N-(1-cyclopropylpropan-2-yl)-2-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-(1-cyclopropylpropan-2-yl)-2-N-methylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-(1-cyclopropylpropan-2-yl)-2-N-methylpyridine-2,6-diamine is CNc1nc(NC(C)CC2CC2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-(1-cyclopropylpropan-2-yl)-2-N-methylpyridine-2,6-diamine?
The InChIKey is FWWAGDIBKKBIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3/c1-7(5-8-3-4-8)16-12-10(14)6-9(13)11(15-2)17-12/h6-8H,3-5H2,1-2H3,(H2,15,16,17).
What are the key properties of 3,5-dichloro-6-N-(1-cyclopropylpropan-2-yl)-2-N-methylpyridine-2,6-diamine?
3,5-dichloro-6-N-(1-cyclopropylpropan-2-yl)-2-N-methylpyridine-2,6-diamine has a molecular weight of 274.19 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-(1-cyclopropylpropan-2-yl)-2-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 102758446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).