2-N-benzyl-2-N-cyclopropyl-5-methylpyridine-2,4-diamine

C16H19N3 — CID 83266619

IUPAC2-N-benzyl-2-N-cyclopropyl-5-methylpyridine-2,4-diamine
SMILESCc1cnc(N(Cc2ccccc2)C2CC2)cc1N
InChIInChI=1S/C16H19N3/c1-12-10-18-16(9-15(12)17)19(14-7-8-14)11-13-5-3-2-4-6-13/h2-6,9-10,14H,7-8,11H2,1H3,(H2,17,18)
InChIKeyXNJKLTSXMOLCOS-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.14
Rot. Bonds4

About 2-N-benzyl-2-N-cyclopropyl-5-methylpyridine-2,4-diamine

2-N-benzyl-2-N-cyclopropyl-5-methylpyridine-2,4-diamine (PubChem CID 83266619) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-N-benzyl-2-N-cyclopropyl-5-methylpyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-2-N-cyclopropyl-5-methylpyridine-2,4-diamine
PubChem CID83266619
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name2-N-benzyl-2-N-cyclopropyl-5-methylpyridine-2,4-diamine
SMILESCc1cnc(N(Cc2ccccc2)C2CC2)cc1N
InChIInChI=1S/C16H19N3/c1-12-10-18-16(9-15(12)17)19(14-7-8-14)11-13-5-3-2-4-6-13/h2-6,9-10,14H,7-8,11H2,1H3,(H2,17,18)
InChIKeyXNJKLTSXMOLCOS-UHFFFAOYSA-N
XLogP3.14
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-2-N-cyclopropyl-5-methylpyridine-2,4-diamine?
The IUPAC name of 2-N-benzyl-2-N-cyclopropyl-5-methylpyridine-2,4-diamine (CID 83266619) is 2-N-benzyl-2-N-cyclopropyl-5-methylpyridine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-2-N-cyclopropyl-5-methylpyridine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-2-N-cyclopropyl-5-methylpyridine-2,4-diamine is Cc1cnc(N(Cc2ccccc2)C2CC2)cc1N.
What is the InChIKey of 2-N-benzyl-2-N-cyclopropyl-5-methylpyridine-2,4-diamine?
The InChIKey is XNJKLTSXMOLCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-12-10-18-16(9-15(12)17)19(14-7-8-14)11-13-5-3-2-4-6-13/h2-6,9-10,14H,7-8,11H2,1H3,(H2,17,18).
What are the key properties of 2-N-benzyl-2-N-cyclopropyl-5-methylpyridine-2,4-diamine?
2-N-benzyl-2-N-cyclopropyl-5-methylpyridine-2,4-diamine has a molecular weight of 253.35 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-2-N-cyclopropyl-5-methylpyridine-2,4-diamine is sourced from PubChem (CID 83266619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).