3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]propyl]pyridine-2,6-diamine

C12H18Cl2N4 — CID 114133461

IUPAC3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]propyl]pyridine-2,6-diamine
SMILESCC(CNc1nc(N)c(Cl)cc1Cl)N(C)C1CC1
InChIInChI=1S/C12H18Cl2N4/c1-7(18(2)8-3-4-8)6-16-12-10(14)5-9(13)11(15)17-12/h5,7-8H,3-4,6H2,1-2H3,(H3,15,16,17)
InChIKeyKQVSZNPGHMLHKM-UHFFFAOYSA-N
MW289.21 g/mol
LogP2.87
Rot. Bonds5

About 3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]propyl]pyridine-2,6-diamine

3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]propyl]pyridine-2,6-diamine (PubChem CID 114133461) has the molecular formula C12H18Cl2N4 and a molecular weight of 289.21 g/mol. Its IUPAC name is 3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]propyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]propyl]pyridine-2,6-diamine
PubChem CID114133461
Molecular FormulaC12H18Cl2N4
Molecular Weight289.21 g/mol
Exact Mass288.09
IUPAC Name3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]propyl]pyridine-2,6-diamine
SMILESCC(CNc1nc(N)c(Cl)cc1Cl)N(C)C1CC1
InChIInChI=1S/C12H18Cl2N4/c1-7(18(2)8-3-4-8)6-16-12-10(14)5-9(13)11(15)17-12/h5,7-8H,3-4,6H2,1-2H3,(H3,15,16,17)
InChIKeyKQVSZNPGHMLHKM-UHFFFAOYSA-N
XLogP2.87
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-N-[2-[cyclopropyl(methyl)amino]propyl]pyrimidine-4,5-diamine
CID 114133019
3,5-dichloro-6-N-ethylpyridine-2,6-diamine
CID 102755516
5-amino-6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carboxylic acid
CID 114133278
3,5-dichloro-6-N-(4-methylpentyl)pyridine-2,6-diamine
CID 102758112
3,5-dichloro-6-N-(2-cyclopropylpropyl)-2-N-ethylpyridine-2,6-diamine
CID 102759850
[2-[[(6-amino-3,5-dichloro-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 102758815
3,5-dichloro-6-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,6-diamine
CID 102759502
3,5-dichloro-6-N-hexan-2-ylpyridine-2,6-diamine
CID 102757808
3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine
CID 102758066
(2R)-2-N-cyclopropyl-2-N-methyl-1-N-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,2-diamine
CID 100643956
2-[[(6-amino-3,5-dichloro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 102758635
3,5-dichloro-6-N-(3-methylbutan-2-yl)pyridine-2,6-diamine
CID 102754467

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]propyl]pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]propyl]pyridine-2,6-diamine (CID 114133461) is 3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]propyl]pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]propyl]pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]propyl]pyridine-2,6-diamine is CC(CNc1nc(N)c(Cl)cc1Cl)N(C)C1CC1.
What is the InChIKey of 3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]propyl]pyridine-2,6-diamine?
The InChIKey is KQVSZNPGHMLHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N4/c1-7(18(2)8-3-4-8)6-16-12-10(14)5-9(13)11(15)17-12/h5,7-8H,3-4,6H2,1-2H3,(H3,15,16,17).
What are the key properties of 3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]propyl]pyridine-2,6-diamine?
3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]propyl]pyridine-2,6-diamine has a molecular weight of 289.21 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]propyl]pyridine-2,6-diamine is sourced from PubChem (CID 114133461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).