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

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Related Compounds

3,5,6-trichloro-N-(1-cyclopropylpropan-2-yl)pyridin-2-amine
CID 102751177
3,5-dichloro-6-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpyridine-2,6-diamine
CID 102758087
3,5-dichloro-2-N-methyl-6-N-[(4-methylcyclohexyl)methyl]pyridine-2,6-diamine
CID 102758204
3,5-dichloro-2-N-methyl-6-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2,6-diamine
CID 102756935
4-N-(1-cyclopropylpropan-2-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80839809
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N-methylpropanamide
CID 102756840
3,5,6-trichloro-N-(1-cyclopropylethyl)pyridin-2-amine
CID 102750364
2-bromo-6-chloro-N-(1-cyclopropylpropan-2-yl)-4-fluoroaniline
CID 107610311
3,5-dichloro-2-N-ethyl-6-N-pentan-2-ylpyridine-2,6-diamine
CID 102755564
N-(1-cyclopropylpropan-2-yl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80911322
3,5-dichloro-6-N-cyclopentyl-2-N-methyl-6-N-(3-methylbutyl)pyridine-2,6-diamine
CID 102759062
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N-(2-methoxyethyl)propanamide
CID 102759668

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).