3,5-dichloro-N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-2-amine

C14H22Cl2N4 — CID 102757965

IUPAC3,5-dichloro-N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-2-amine
SMILESCNc1nc(N2CCN(CC(C)C)CC2)c(Cl)cc1Cl
InChIInChI=1S/C14H22Cl2N4/c1-10(2)9-19-4-6-20(7-5-19)14-12(16)8-11(15)13(17-3)18-14/h8,10H,4-7,9H2,1-3H3,(H,17,18)
InChIKeyODEAGTFRAGHHNS-UHFFFAOYSA-N
MW317.26 g/mol
LogP3.21
Rot. Bonds4

About 3,5-dichloro-N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-2-amine

3,5-dichloro-N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-2-amine (PubChem CID 102757965) has the molecular formula C14H22Cl2N4 and a molecular weight of 317.26 g/mol. Its IUPAC name is 3,5-dichloro-N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-2-amine
PubChem CID102757965
Molecular FormulaC14H22Cl2N4
Molecular Weight317.26 g/mol
Exact Mass316.12
IUPAC Name3,5-dichloro-N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-2-amine
SMILESCNc1nc(N2CCN(CC(C)C)CC2)c(Cl)cc1Cl
InChIInChI=1S/C14H22Cl2N4/c1-10(2)9-19-4-6-20(7-5-19)14-12(16)8-11(15)13(17-3)18-14/h8,10H,4-7,9H2,1-3H3,(H,17,18)
InChIKeyODEAGTFRAGHHNS-UHFFFAOYSA-N
XLogP3.21
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(azepan-1-yl)-3,5-dichloro-N-methylpyridin-2-amine
CID 102755321
1-[3,5-dichloro-6-(methylamino)-2-pyridinyl]piperidin-4-ol
CID 102755349
3,5-dichloro-N-methyl-6-(4-propylpiperidin-1-yl)pyridin-2-amine
CID 102757811
5-chloro-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 62775906
3,5-dichloro-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methylpyridin-2-amine
CID 102758125
N,5-dimethyl-4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-amine
CID 80825366
[3,5-dichloro-6-(4-methylpiperazin-1-yl)-2-pyridinyl]hydrazine
CID 102762367
4-[3,5-dichloro-6-(methylamino)-2-pyridinyl]piperazin-2-one
CID 102755341
N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-5-nitropyridin-2-amine
CID 80803212
3,5-dichloro-N-propyl-6-pyrrolidin-1-ylpyridin-2-amine
CID 102755297
3,5-dichloro-6-(2-ethylpyrrolidin-1-yl)-N-methylpyridin-2-amine
CID 102756425
N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-4-amine
CID 80825091

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-2-amine (CID 102757965) is 3,5-dichloro-N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-2-amine is CNc1nc(N2CCN(CC(C)C)CC2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-2-amine?
The InChIKey is ODEAGTFRAGHHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Cl2N4/c1-10(2)9-19-4-6-20(7-5-19)14-12(16)8-11(15)13(17-3)18-14/h8,10H,4-7,9H2,1-3H3,(H,17,18).
What are the key properties of 3,5-dichloro-N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-2-amine?
3,5-dichloro-N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-2-amine has a molecular weight of 317.26 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-2-amine is sourced from PubChem (CID 102757965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).