2-N-[5-[(3-amino-2-pyridinyl)amino]-2,4-dimethylphenyl]pyridine-2,3-diamine

C18H20N6 — CID 164754587

IUPAC2-N-[5-[(3-amino-2-pyridinyl)amino]-2,4-dimethylphenyl]pyridine-2,3-diamine
SMILESCc1cc(C)c(Nc2ncccc2N)cc1Nc1ncccc1N
InChIInChI=1S/C18H20N6/c1-11-9-12(2)16(24-18-14(20)6-4-8-22-18)10-15(11)23-17-13(19)5-3-7-21-17/h3-10H,19-20H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyZFORVYRYIGLICE-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.75
Rot. Bonds4

About 2-N-[5-[(3-amino-2-pyridinyl)amino]-2,4-dimethylphenyl]pyridine-2,3-diamine

2-N-[5-[(3-amino-2-pyridinyl)amino]-2,4-dimethylphenyl]pyridine-2,3-diamine (PubChem CID 164754587) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-N-[5-[(3-amino-2-pyridinyl)amino]-2,4-dimethylphenyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[5-[(3-amino-2-pyridinyl)amino]-2,4-dimethylphenyl]pyridine-2,3-diamine
PubChem CID164754587
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name2-N-[5-[(3-amino-2-pyridinyl)amino]-2,4-dimethylphenyl]pyridine-2,3-diamine
SMILESCc1cc(C)c(Nc2ncccc2N)cc1Nc1ncccc1N
InChIInChI=1S/C18H20N6/c1-11-9-12(2)16(24-18-14(20)6-4-8-22-18)10-15(11)23-17-13(19)5-3-7-21-17/h3-10H,19-20H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyZFORVYRYIGLICE-UHFFFAOYSA-N
XLogP3.75
TPSA101.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[5-[(3-amino-2-pyridinyl)amino]-2,4-dimethylphenyl]pyridine-2,3-diamine?
The IUPAC name of 2-N-[5-[(3-amino-2-pyridinyl)amino]-2,4-dimethylphenyl]pyridine-2,3-diamine (CID 164754587) is 2-N-[5-[(3-amino-2-pyridinyl)amino]-2,4-dimethylphenyl]pyridine-2,3-diamine.
What is the SMILES notation for 2-N-[5-[(3-amino-2-pyridinyl)amino]-2,4-dimethylphenyl]pyridine-2,3-diamine?
The canonical SMILES for 2-N-[5-[(3-amino-2-pyridinyl)amino]-2,4-dimethylphenyl]pyridine-2,3-diamine is Cc1cc(C)c(Nc2ncccc2N)cc1Nc1ncccc1N.
What is the InChIKey of 2-N-[5-[(3-amino-2-pyridinyl)amino]-2,4-dimethylphenyl]pyridine-2,3-diamine?
The InChIKey is ZFORVYRYIGLICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-11-9-12(2)16(24-18-14(20)6-4-8-22-18)10-15(11)23-17-13(19)5-3-7-21-17/h3-10H,19-20H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-N-[5-[(3-amino-2-pyridinyl)amino]-2,4-dimethylphenyl]pyridine-2,3-diamine?
2-N-[5-[(3-amino-2-pyridinyl)amino]-2,4-dimethylphenyl]pyridine-2,3-diamine has a molecular weight of 320.40 g/mol, XLogP of 3.75, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[5-[(3-amino-2-pyridinyl)amino]-2,4-dimethylphenyl]pyridine-2,3-diamine is sourced from PubChem (CID 164754587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).