3,5-dichloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpyridin-2-amine

C13H20Cl2N4 — CID 102758009

IUPAC3,5-dichloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpyridin-2-amine
SMILESCNc1nc(N2CCCC2CN(C)C)c(Cl)cc1Cl
InChIInChI=1S/C13H20Cl2N4/c1-16-12-10(14)7-11(15)13(17-12)19-6-4-5-9(19)8-18(2)3/h7,9H,4-6,8H2,1-3H3,(H,16,17)
InChIKeyDJCXKWRSLHTVLF-UHFFFAOYSA-N
MW303.24 g/mol
LogP2.96
Rot. Bonds4

About 3,5-dichloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpyridin-2-amine

3,5-dichloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpyridin-2-amine (PubChem CID 102758009) has the molecular formula C13H20Cl2N4 and a molecular weight of 303.24 g/mol. Its IUPAC name is 3,5-dichloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpyridin-2-amine
PubChem CID102758009
Molecular FormulaC13H20Cl2N4
Molecular Weight303.24 g/mol
Exact Mass302.11
IUPAC Name3,5-dichloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpyridin-2-amine
SMILESCNc1nc(N2CCCC2CN(C)C)c(Cl)cc1Cl
InChIInChI=1S/C13H20Cl2N4/c1-16-12-10(14)7-11(15)13(17-12)19-6-4-5-9(19)8-18(2)3/h7,9H,4-6,8H2,1-3H3,(H,16,17)
InChIKeyDJCXKWRSLHTVLF-UHFFFAOYSA-N
XLogP2.96
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-6-(2-ethylpyrrolidin-1-yl)-N-methylpyridin-2-amine
CID 102756425
6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,5-dichloro-N-methylpyridin-2-amine
CID 102760209
5-bromo-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 114072228
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,6-dimethylpyrimidin-2-amine
CID 80825077
[1-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)piperidin-2-yl]methanol
CID 102761714
1-[1-(3,6-dichloro-1,2,4-triazin-5-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 81036152
6-(azepan-1-yl)-3,5-dichloro-N-methylpyridin-2-amine
CID 102755321
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methyl-5-nitropyrimidin-4-amine
CID 80823234
3,5-dichloro-N-methyl-6-(4-propylazepan-1-yl)pyridin-2-amine
CID 102758516
1-[1-[4,6-dimethyl-3-(methylaminomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62889389
1-[3,5-dichloro-6-(methylamino)-2-pyridinyl]piperidin-4-ol
CID 102755349
3,5-dichloro-6-(2,3-dimethylthiomorpholin-4-yl)-N-methylpyridin-2-amine
CID 102760058

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpyridin-2-amine (CID 102758009) is 3,5-dichloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpyridin-2-amine is CNc1nc(N2CCCC2CN(C)C)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpyridin-2-amine?
The InChIKey is DJCXKWRSLHTVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N4/c1-16-12-10(14)7-11(15)13(17-12)19-6-4-5-9(19)8-18(2)3/h7,9H,4-6,8H2,1-3H3,(H,16,17).
What are the key properties of 3,5-dichloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpyridin-2-amine?
3,5-dichloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpyridin-2-amine has a molecular weight of 303.24 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpyridin-2-amine is sourced from PubChem (CID 102758009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).