6-[10-(4,6-diamino-1,3,5-triazin-2-yl)anthracen-9-yl]-1,3,5-triazine-2,4-diamine

C20H16N10 — CID 14670367

IUPAC6-[10-(4,6-diamino-1,3,5-triazin-2-yl)anthracen-9-yl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2c3ccccc3c(-c3nc(N)nc(N)n3)c3ccccc23)n1
InChIInChI=1S/C20H16N10/c21-17-25-15(26-18(22)29-17)13-9-5-1-2-6-10(9)14(12-8-4-3-7-11(12)13)16-27-19(23)30-20(24)28-16/h1-8H,(H4,21,22,25,26,29)(H4,23,24,27,28,30)
InChIKeyFUDYOKKXHRMYDH-UHFFFAOYSA-N
MW396.42 g/mol
LogP2.03
Rot. Bonds2

About 6-[10-(4,6-diamino-1,3,5-triazin-2-yl)anthracen-9-yl]-1,3,5-triazine-2,4-diamine

6-[10-(4,6-diamino-1,3,5-triazin-2-yl)anthracen-9-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 14670367) has the molecular formula C20H16N10 and a molecular weight of 396.42 g/mol. Its IUPAC name is 6-[10-(4,6-diamino-1,3,5-triazin-2-yl)anthracen-9-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[10-(4,6-diamino-1,3,5-triazin-2-yl)anthracen-9-yl]-1,3,5-triazine-2,4-diamine
PubChem CID14670367
Molecular FormulaC20H16N10
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Name6-[10-(4,6-diamino-1,3,5-triazin-2-yl)anthracen-9-yl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2c3ccccc3c(-c3nc(N)nc(N)n3)c3ccccc23)n1
InChIInChI=1S/C20H16N10/c21-17-25-15(26-18(22)29-17)13-9-5-1-2-6-10(9)14(12-8-4-3-7-11(12)13)16-27-19(23)30-20(24)28-16/h1-8H,(H4,21,22,25,26,29)(H4,23,24,27,28,30)
InChIKeyFUDYOKKXHRMYDH-UHFFFAOYSA-N
XLogP2.03
TPSA181.42 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1,3,5-Triazine, 2,4-dimethoxy-6-(1-pyrenyl)-
CID 76757
s-Triazine, 2,2'-O-phenylene-bis(4,6-diamino-
CID 220912
6-(2,4-dimethylphenyl)-1,3,5-Triazine-2,4-diamine
CID 25163924
1,3,5-Triazine, 2-chloro-4,6-bis(2,4-dimethylphenyl)-
CID 71059
Tris-biphenyl triazine
CID 11628027
2,4-Dichloro-6-pyren-1-yl-1,3,5-triazine
CID 76698
2,4-Bis(4-biphenylyl)-6-chloro-1,3,5-triazine
CID 22476006
2-Chloro-4,6-di(naphthalen-1-yl)-1,3,5-triazine
CID 23546878
6-[4-(4,6-Diamino-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazine-2,4-diamine
CID 1910750
2-Chloro-4-(naphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 118652415
2,4,6-Tris(2,4-dimethylphenyl)-1,3,5-triazine
CID 22475988
4-[3-(4-Amino-6-prop-1-en-2-yl-1,3,5-triazin-2-yl)phenyl]-6-prop-1-en-2-yl-1,3,5-triazin-2-amine
CID 338905

Frequently Asked Questions

What is the IUPAC name of 6-[10-(4,6-diamino-1,3,5-triazin-2-yl)anthracen-9-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[10-(4,6-diamino-1,3,5-triazin-2-yl)anthracen-9-yl]-1,3,5-triazine-2,4-diamine (CID 14670367) is 6-[10-(4,6-diamino-1,3,5-triazin-2-yl)anthracen-9-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[10-(4,6-diamino-1,3,5-triazin-2-yl)anthracen-9-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[10-(4,6-diamino-1,3,5-triazin-2-yl)anthracen-9-yl]-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(-c2c3ccccc3c(-c3nc(N)nc(N)n3)c3ccccc23)n1.
What is the InChIKey of 6-[10-(4,6-diamino-1,3,5-triazin-2-yl)anthracen-9-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is FUDYOKKXHRMYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N10/c21-17-25-15(26-18(22)29-17)13-9-5-1-2-6-10(9)14(12-8-4-3-7-11(12)13)16-27-19(23)30-20(24)28-16/h1-8H,(H4,21,22,25,26,29)(H4,23,24,27,28,30).
What are the key properties of 6-[10-(4,6-diamino-1,3,5-triazin-2-yl)anthracen-9-yl]-1,3,5-triazine-2,4-diamine?
6-[10-(4,6-diamino-1,3,5-triazin-2-yl)anthracen-9-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 396.42 g/mol, XLogP of 2.03, 2 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-(4,6-diamino-1,3,5-triazin-2-yl)anthracen-9-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 14670367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).