2-N,3-dimethyl-2-N-(1H-pyrrol-2-ylmethyl)pyridine-2,5-diamine

C12H16N4 — CID 115147991

IUPAC2-N,3-dimethyl-2-N-(1H-pyrrol-2-ylmethyl)pyridine-2,5-diamine
SMILESCc1cc(N)cnc1N(C)Cc1ccc[nH]1
InChIInChI=1S/C12H16N4/c1-9-6-10(13)7-15-12(9)16(2)8-11-4-3-5-14-11/h3-7,14H,8,13H2,1-2H3
InChIKeyMNETZVQWBCEGJP-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.94
Rot. Bonds3

About 2-N,3-dimethyl-2-N-(1H-pyrrol-2-ylmethyl)pyridine-2,5-diamine

2-N,3-dimethyl-2-N-(1H-pyrrol-2-ylmethyl)pyridine-2,5-diamine (PubChem CID 115147991) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-N,3-dimethyl-2-N-(1H-pyrrol-2-ylmethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N,3-dimethyl-2-N-(1H-pyrrol-2-ylmethyl)pyridine-2,5-diamine
PubChem CID115147991
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-N,3-dimethyl-2-N-(1H-pyrrol-2-ylmethyl)pyridine-2,5-diamine
SMILESCc1cc(N)cnc1N(C)Cc1ccc[nH]1
InChIInChI=1S/C12H16N4/c1-9-6-10(13)7-15-12(9)16(2)8-11-4-3-5-14-11/h3-7,14H,8,13H2,1-2H3
InChIKeyMNETZVQWBCEGJP-UHFFFAOYSA-N
XLogP1.94
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N,3-dimethyl-2-N-(1H-pyrrol-2-ylmethyl)pyridine-2,5-diamine?
The IUPAC name of 2-N,3-dimethyl-2-N-(1H-pyrrol-2-ylmethyl)pyridine-2,5-diamine (CID 115147991) is 2-N,3-dimethyl-2-N-(1H-pyrrol-2-ylmethyl)pyridine-2,5-diamine.
What is the SMILES notation for 2-N,3-dimethyl-2-N-(1H-pyrrol-2-ylmethyl)pyridine-2,5-diamine?
The canonical SMILES for 2-N,3-dimethyl-2-N-(1H-pyrrol-2-ylmethyl)pyridine-2,5-diamine is Cc1cc(N)cnc1N(C)Cc1ccc[nH]1.
What is the InChIKey of 2-N,3-dimethyl-2-N-(1H-pyrrol-2-ylmethyl)pyridine-2,5-diamine?
The InChIKey is MNETZVQWBCEGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9-6-10(13)7-15-12(9)16(2)8-11-4-3-5-14-11/h3-7,14H,8,13H2,1-2H3.
What are the key properties of 2-N,3-dimethyl-2-N-(1H-pyrrol-2-ylmethyl)pyridine-2,5-diamine?
2-N,3-dimethyl-2-N-(1H-pyrrol-2-ylmethyl)pyridine-2,5-diamine has a molecular weight of 216.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-dimethyl-2-N-(1H-pyrrol-2-ylmethyl)pyridine-2,5-diamine is sourced from PubChem (CID 115147991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).