5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,5-diamine

C12H14N4 — CID 63305919

IUPAC5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,5-diamine
SMILESCc1cccnc1CNc1ccc(N)nc1
InChIInChI=1S/C12H14N4/c1-9-3-2-6-14-11(9)8-15-10-4-5-12(13)16-7-10/h2-7,15H,8H2,1H3,(H2,13,16)
InChIKeyDGKIPFNRGREUHU-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.98
Rot. Bonds3

About 5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,5-diamine

5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,5-diamine (PubChem CID 63305919) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,5-diamine
PubChem CID63305919
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,5-diamine
SMILESCc1cccnc1CNc1ccc(N)nc1
InChIInChI=1S/C12H14N4/c1-9-3-2-6-14-11(9)8-15-10-4-5-12(13)16-7-10/h2-7,15H,8H2,1H3,(H2,13,16)
InChIKeyDGKIPFNRGREUHU-UHFFFAOYSA-N
XLogP1.98
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650022
4-[(3-methyl-2-pyridinyl)methylamino]benzamide
CID 112649993
6-tert-butylsulfonyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-3-amine
CID 71920326
N-[(3-methyl-2-pyridinyl)methyl]thiophen-3-amine
CID 112650234
2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine
CID 63305875
3-N-ethyl-5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3,5-diamine
CID 113424030
3-N-methyl-5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3,5-diamine
CID 104534595
1-N-[(3-methyl-2-pyridinyl)methyl]-4-nitrobenzene-1,3-diamine
CID 106749300
4-N-[(3-methyl-2-pyridinyl)methyl]-2-propoxybenzene-1,4-diamine
CID 63675740
3-ethoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650113
5-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 63306403
3-ethyl-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650029

Frequently Asked Questions

What is the IUPAC name of 5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,5-diamine?
The IUPAC name of 5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,5-diamine (CID 63305919) is 5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,5-diamine.
What is the SMILES notation for 5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,5-diamine?
The canonical SMILES for 5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,5-diamine is Cc1cccnc1CNc1ccc(N)nc1.
What is the InChIKey of 5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,5-diamine?
The InChIKey is DGKIPFNRGREUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-9-3-2-6-14-11(9)8-15-10-4-5-12(13)16-7-10/h2-7,15H,8H2,1H3,(H2,13,16).
What are the key properties of 5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,5-diamine?
5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,5-diamine has a molecular weight of 214.27 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,5-diamine is sourced from PubChem (CID 63305919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).