5-[amino-(3-methyl-2-pyridinyl)methyl]-N,N-dimethylpyridin-2-amine

C14H18N4 — CID 114273144

IUPAC5-[amino-(3-methyl-2-pyridinyl)methyl]-N,N-dimethylpyridin-2-amine
SMILESCc1cccnc1C(N)c1ccc(N(C)C)nc1
InChIInChI=1S/C14H18N4/c1-10-5-4-8-16-14(10)13(15)11-6-7-12(17-9-11)18(2)3/h4-9,13H,15H2,1-3H3
InChIKeyMCJKVOKFADJKON-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.90
Rot. Bonds3

About 5-[amino-(3-methyl-2-pyridinyl)methyl]-N,N-dimethylpyridin-2-amine

5-[amino-(3-methyl-2-pyridinyl)methyl]-N,N-dimethylpyridin-2-amine (PubChem CID 114273144) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 5-[amino-(3-methyl-2-pyridinyl)methyl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-[amino-(3-methyl-2-pyridinyl)methyl]-N,N-dimethylpyridin-2-amine
PubChem CID114273144
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name5-[amino-(3-methyl-2-pyridinyl)methyl]-N,N-dimethylpyridin-2-amine
SMILESCc1cccnc1C(N)c1ccc(N(C)C)nc1
InChIInChI=1S/C14H18N4/c1-10-5-4-8-16-14(10)13(15)11-6-7-12(17-9-11)18(2)3/h4-9,13H,15H2,1-3H3
InChIKeyMCJKVOKFADJKON-UHFFFAOYSA-N
XLogP1.90
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[amino-(3-methyl-2-pyridinyl)methyl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-[amino-(3-methyl-2-pyridinyl)methyl]-N,N-dimethylpyridin-2-amine (CID 114273144) is 5-[amino-(3-methyl-2-pyridinyl)methyl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-[amino-(3-methyl-2-pyridinyl)methyl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-[amino-(3-methyl-2-pyridinyl)methyl]-N,N-dimethylpyridin-2-amine is Cc1cccnc1C(N)c1ccc(N(C)C)nc1.
What is the InChIKey of 5-[amino-(3-methyl-2-pyridinyl)methyl]-N,N-dimethylpyridin-2-amine?
The InChIKey is MCJKVOKFADJKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10-5-4-8-16-14(10)13(15)11-6-7-12(17-9-11)18(2)3/h4-9,13H,15H2,1-3H3.
What are the key properties of 5-[amino-(3-methyl-2-pyridinyl)methyl]-N,N-dimethylpyridin-2-amine?
5-[amino-(3-methyl-2-pyridinyl)methyl]-N,N-dimethylpyridin-2-amine has a molecular weight of 242.33 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-(3-methyl-2-pyridinyl)methyl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 114273144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).