2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,4-diamine

C12H14N4 — CID 114954576

IUPAC2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,4-diamine
SMILESCc1ccncc1CNc1cc(N)ccn1
InChIInChI=1S/C12H14N4/c1-9-2-4-14-7-10(9)8-16-12-6-11(13)3-5-15-12/h2-7H,8H2,1H3,(H3,13,15,16)
InChIKeyIUXFLXFSJBYDCW-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.98
Rot. Bonds3

About 2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,4-diamine

2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,4-diamine (PubChem CID 114954576) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,4-diamine
PubChem CID114954576
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,4-diamine
SMILESCc1ccncc1CNc1cc(N)ccn1
InChIInChI=1S/C12H14N4/c1-9-2-4-14-7-10(9)8-16-12-6-11(13)3-5-15-12/h2-7H,8H2,1H3,(H3,13,15,16)
InChIKeyIUXFLXFSJBYDCW-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

2-[(4-methyl-3-pyridinyl)methylamino]pyridine-4-carboxylic acid
CID 114956408
N-[(4-methyl-3-pyridinyl)methyl]pyridin-2-amine
CID 91611248
2,6-difluoro-1-N-[(4-methyl-3-pyridinyl)methyl]benzene-1,4-diamine
CID 114954480
5-iodo-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956718
4,6-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956711
4-N-[(4-methyl-3-pyridinyl)methyl]quinazoline-4,7-diamine
CID 114954524
5-chloro-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956528
6-ethoxy-2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,5-diamine
CID 114954533
N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine
CID 114956500
4-N-[(4-methyl-3-pyridinyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114957965
5-amino-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carboxamide
CID 114090671
3-methyl-5-N-[(4-methyl-3-pyridinyl)methyl]isoquinoline-5,8-diamine
CID 102713713

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,4-diamine?
The IUPAC name of 2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,4-diamine (CID 114954576) is 2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,4-diamine.
What is the SMILES notation for 2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,4-diamine?
The canonical SMILES for 2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,4-diamine is Cc1ccncc1CNc1cc(N)ccn1.
What is the InChIKey of 2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,4-diamine?
The InChIKey is IUXFLXFSJBYDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-9-2-4-14-7-10(9)8-16-12-6-11(13)3-5-15-12/h2-7H,8H2,1H3,(H3,13,15,16).
What are the key properties of 2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,4-diamine?
2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,4-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 2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,4-diamine is sourced from PubChem (CID 114954576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).