4-[3-(2-amino-6-methyl-4-pyridinyl)-5-(2,6-diamino-4-pyridinyl)phenyl]pyridine-2,6-diamine

C22H22N8 — CID 159767506

IUPAC4-[3-(2-amino-6-methyl-4-pyridinyl)-5-(2,6-diamino-4-pyridinyl)phenyl]pyridine-2,6-diamine
SMILESCc1cc(-c2cc(-c3cc(N)nc(N)c3)cc(-c3cc(N)nc(N)c3)c2)cc(N)n1
InChIInChI=1S/C22H22N8/c1-11-2-12(6-18(23)28-11)13-3-14(16-7-19(24)29-20(25)8-16)5-15(4-13)17-9-21(26)30-22(27)10-17/h2-10H,1H3,(H2,23,28)(H4,24,25,29)(H4,26,27,30)
InChIKeyNFRPWBCDVDGTGZ-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.09
Rot. Bonds3

About 4-[3-(2-amino-6-methyl-4-pyridinyl)-5-(2,6-diamino-4-pyridinyl)phenyl]pyridine-2,6-diamine

4-[3-(2-amino-6-methyl-4-pyridinyl)-5-(2,6-diamino-4-pyridinyl)phenyl]pyridine-2,6-diamine (PubChem CID 159767506) has the molecular formula C22H22N8 and a molecular weight of 398.47 g/mol. Its IUPAC name is 4-[3-(2-amino-6-methyl-4-pyridinyl)-5-(2,6-diamino-4-pyridinyl)phenyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name4-[3-(2-amino-6-methyl-4-pyridinyl)-5-(2,6-diamino-4-pyridinyl)phenyl]pyridine-2,6-diamine
PubChem CID159767506
Molecular FormulaC22H22N8
Molecular Weight398.47 g/mol
Exact Mass398.20
IUPAC Name4-[3-(2-amino-6-methyl-4-pyridinyl)-5-(2,6-diamino-4-pyridinyl)phenyl]pyridine-2,6-diamine
SMILESCc1cc(-c2cc(-c3cc(N)nc(N)c3)cc(-c3cc(N)nc(N)c3)c2)cc(N)n1
InChIInChI=1S/C22H22N8/c1-11-2-12(6-18(23)28-11)13-3-14(16-7-19(24)29-20(25)8-16)5-15(4-13)17-9-21(26)30-22(27)10-17/h2-10H,1H3,(H2,23,28)(H4,24,25,29)(H4,26,27,30)
InChIKeyNFRPWBCDVDGTGZ-UHFFFAOYSA-N
XLogP3.09
TPSA168.77 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-amino-6-methyl-4-pyridinyl)-5-(2,6-diamino-4-pyridinyl)phenyl]pyridine-2,6-diamine?
The IUPAC name of 4-[3-(2-amino-6-methyl-4-pyridinyl)-5-(2,6-diamino-4-pyridinyl)phenyl]pyridine-2,6-diamine (CID 159767506) is 4-[3-(2-amino-6-methyl-4-pyridinyl)-5-(2,6-diamino-4-pyridinyl)phenyl]pyridine-2,6-diamine.
What is the SMILES notation for 4-[3-(2-amino-6-methyl-4-pyridinyl)-5-(2,6-diamino-4-pyridinyl)phenyl]pyridine-2,6-diamine?
The canonical SMILES for 4-[3-(2-amino-6-methyl-4-pyridinyl)-5-(2,6-diamino-4-pyridinyl)phenyl]pyridine-2,6-diamine is Cc1cc(-c2cc(-c3cc(N)nc(N)c3)cc(-c3cc(N)nc(N)c3)c2)cc(N)n1.
What is the InChIKey of 4-[3-(2-amino-6-methyl-4-pyridinyl)-5-(2,6-diamino-4-pyridinyl)phenyl]pyridine-2,6-diamine?
The InChIKey is NFRPWBCDVDGTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8/c1-11-2-12(6-18(23)28-11)13-3-14(16-7-19(24)29-20(25)8-16)5-15(4-13)17-9-21(26)30-22(27)10-17/h2-10H,1H3,(H2,23,28)(H4,24,25,29)(H4,26,27,30).
What are the key properties of 4-[3-(2-amino-6-methyl-4-pyridinyl)-5-(2,6-diamino-4-pyridinyl)phenyl]pyridine-2,6-diamine?
4-[3-(2-amino-6-methyl-4-pyridinyl)-5-(2,6-diamino-4-pyridinyl)phenyl]pyridine-2,6-diamine has a molecular weight of 398.47 g/mol, XLogP of 3.09, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-amino-6-methyl-4-pyridinyl)-5-(2,6-diamino-4-pyridinyl)phenyl]pyridine-2,6-diamine is sourced from PubChem (CID 159767506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).