2-[(6-methyl-2-pyridinyl)methyl]-1H-pyridine-2,3-diamine

C12H16N4 — CID 151889954

IUPAC2-[(6-methyl-2-pyridinyl)methyl]-1H-pyridine-2,3-diamine
SMILESCc1cccc(CC2(N)NC=CC=C2N)n1
InChIInChI=1S/C12H16N4/c1-9-4-2-5-10(16-9)8-12(14)11(13)6-3-7-15-12/h2-7,15H,8,13-14H2,1H3
InChIKeySQNJHSZVTQDMDA-UHFFFAOYSA-N
MW216.29 g/mol
LogP0.55
Rot. Bonds2

About 2-[(6-methyl-2-pyridinyl)methyl]-1H-pyridine-2,3-diamine

2-[(6-methyl-2-pyridinyl)methyl]-1H-pyridine-2,3-diamine (PubChem CID 151889954) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-[(6-methyl-2-pyridinyl)methyl]-1H-pyridine-2,3-diamine.

Molecular Properties

Compound Name2-[(6-methyl-2-pyridinyl)methyl]-1H-pyridine-2,3-diamine
PubChem CID151889954
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-[(6-methyl-2-pyridinyl)methyl]-1H-pyridine-2,3-diamine
SMILESCc1cccc(CC2(N)NC=CC=C2N)n1
InChIInChI=1S/C12H16N4/c1-9-4-2-5-10(16-9)8-12(14)11(13)6-3-7-15-12/h2-7,15H,8,13-14H2,1H3
InChIKeySQNJHSZVTQDMDA-UHFFFAOYSA-N
XLogP0.55
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-pyridinyl)methyl]-1H-pyridine-2,3-diamine?
The IUPAC name of 2-[(6-methyl-2-pyridinyl)methyl]-1H-pyridine-2,3-diamine (CID 151889954) is 2-[(6-methyl-2-pyridinyl)methyl]-1H-pyridine-2,3-diamine.
What is the SMILES notation for 2-[(6-methyl-2-pyridinyl)methyl]-1H-pyridine-2,3-diamine?
The canonical SMILES for 2-[(6-methyl-2-pyridinyl)methyl]-1H-pyridine-2,3-diamine is Cc1cccc(CC2(N)NC=CC=C2N)n1.
What is the InChIKey of 2-[(6-methyl-2-pyridinyl)methyl]-1H-pyridine-2,3-diamine?
The InChIKey is SQNJHSZVTQDMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9-4-2-5-10(16-9)8-12(14)11(13)6-3-7-15-12/h2-7,15H,8,13-14H2,1H3.
What are the key properties of 2-[(6-methyl-2-pyridinyl)methyl]-1H-pyridine-2,3-diamine?
2-[(6-methyl-2-pyridinyl)methyl]-1H-pyridine-2,3-diamine has a molecular weight of 216.29 g/mol, XLogP of 0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-pyridinyl)methyl]-1H-pyridine-2,3-diamine is sourced from PubChem (CID 151889954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).