5-[10-(2-aminopyrimidin-5-yl)anthracen-9-yl]pyrimidin-2-amine

C22H16N6 — CID 15505619

IUPAC5-[10-(2-aminopyrimidin-5-yl)anthracen-9-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2c3ccccc3c(-c3cnc(N)nc3)c3ccccc23)cn1
InChIInChI=1S/C22H16N6/c23-21-25-9-13(10-26-21)19-15-5-1-2-6-16(15)20(14-11-27-22(24)28-12-14)18-8-4-3-7-17(18)19/h1-12H,(H2,23,25,26)(H2,24,27,28)
InChIKeyAVPOIKRDIRPSPS-UHFFFAOYSA-N
MW364.41 g/mol
LogP4.07
Rot. Bonds2

About 5-[10-(2-aminopyrimidin-5-yl)anthracen-9-yl]pyrimidin-2-amine

5-[10-(2-aminopyrimidin-5-yl)anthracen-9-yl]pyrimidin-2-amine (PubChem CID 15505619) has the molecular formula C22H16N6 and a molecular weight of 364.41 g/mol. Its IUPAC name is 5-[10-(2-aminopyrimidin-5-yl)anthracen-9-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[10-(2-aminopyrimidin-5-yl)anthracen-9-yl]pyrimidin-2-amine
PubChem CID15505619
Molecular FormulaC22H16N6
Molecular Weight364.41 g/mol
Exact Mass364.14
IUPAC Name5-[10-(2-aminopyrimidin-5-yl)anthracen-9-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2c3ccccc3c(-c3cnc(N)nc3)c3ccccc23)cn1
InChIInChI=1S/C22H16N6/c23-21-25-9-13(10-26-21)19-15-5-1-2-6-16(15)20(14-11-27-22(24)28-12-14)18-8-4-3-7-17(18)19/h1-12H,(H2,23,25,26)(H2,24,27,28)
InChIKeyAVPOIKRDIRPSPS-UHFFFAOYSA-N
XLogP4.07
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

cyclopenta[e][1,3]diazepin-3-amine
CID 154328664
5-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine
CID 125493633
5-(2-chlorophenyl)pyrimidin-2-amine
CID 66520129
5-(2-methylphenyl)pyrimidin-2-amine
CID 11309934
5-naphthalen-2-ylpyrimidin-2-amine
CID 139194225
2-naphthalen-2-yl-5-(10-naphthalen-2-ylanthracen-9-yl)pyridine
CID 121277468
5-quinolin-2-ylpyrimidin-2-amine
CID 112694944
5-quinazolin-2-ylpyrimidin-2-amine
CID 154196702
5-(10-bromoanthracen-9-yl)-2-pyridin-2-ylpyrimidine
CID 86676451
3-[10-[4-[4-(10-quinolin-3-ylanthracen-9-yl)phenyl]phenyl]anthracen-9-yl]quinoline
CID 59861500
2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylpyrimidine
CID 90361810
5-(10-naphthalen-2-ylanthracen-9-yl)-2-[3-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]phenyl]pyridine
CID 174903865

Frequently Asked Questions

What is the IUPAC name of 5-[10-(2-aminopyrimidin-5-yl)anthracen-9-yl]pyrimidin-2-amine?
The IUPAC name of 5-[10-(2-aminopyrimidin-5-yl)anthracen-9-yl]pyrimidin-2-amine (CID 15505619) is 5-[10-(2-aminopyrimidin-5-yl)anthracen-9-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[10-(2-aminopyrimidin-5-yl)anthracen-9-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[10-(2-aminopyrimidin-5-yl)anthracen-9-yl]pyrimidin-2-amine is Nc1ncc(-c2c3ccccc3c(-c3cnc(N)nc3)c3ccccc23)cn1.
What is the InChIKey of 5-[10-(2-aminopyrimidin-5-yl)anthracen-9-yl]pyrimidin-2-amine?
The InChIKey is AVPOIKRDIRPSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6/c23-21-25-9-13(10-26-21)19-15-5-1-2-6-16(15)20(14-11-27-22(24)28-12-14)18-8-4-3-7-17(18)19/h1-12H,(H2,23,25,26)(H2,24,27,28).
What are the key properties of 5-[10-(2-aminopyrimidin-5-yl)anthracen-9-yl]pyrimidin-2-amine?
5-[10-(2-aminopyrimidin-5-yl)anthracen-9-yl]pyrimidin-2-amine has a molecular weight of 364.41 g/mol, XLogP of 4.07, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10-(2-aminopyrimidin-5-yl)anthracen-9-yl]pyrimidin-2-amine is sourced from PubChem (CID 15505619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).