CID 139150015

C36H24KN12 — CID 139150015

IUPAC—
SMILES[K].c1ccc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)nc1.c1ccc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)nc1
InChIInChI=1S/2C18H12N6.K/c2*1-4-10-19-13(7-1)16-22-17(14-8-2-5-11-20-14)24-18(23-16)15-9-3-6-12-21-15;/h2*1-12H;
InChIKeyOQKWKBYEVPMPEK-UHFFFAOYSA-N
MW663.77 g/mol
LogP5.73
Rot. Bonds6

About CID 139150015

CID 139150015 (PubChem CID 139150015) has the molecular formula C36H24KN12 and a molecular weight of 663.77 g/mol.

Molecular Properties

Compound NameCID 139150015
PubChem CID139150015
Molecular FormulaC36H24KN12
Molecular Weight663.77 g/mol
Exact Mass663.19
IUPAC Name—
SMILES[K].c1ccc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)nc1.c1ccc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)nc1
InChIInChI=1S/2C18H12N6.K/c2*1-4-10-19-13(7-1)16-22-17(14-8-2-5-11-20-14)24-18(23-16)15-9-3-6-12-21-15;/h2*1-12H;
InChIKeyOQKWKBYEVPMPEK-UHFFFAOYSA-N
XLogP5.73
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500663.77
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

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CID 77258
2,4-Diamino-6-(2-pyridyl)-1,3,5-triazine
CID 212817
1,6-Bis(4-(pyridin-2-yl)piperazin-1-yl)hexane
CID 11524350
2,4,6-Tris(4-pyridyl)-1,3,5-triazine
CID 317666
N-cyano-N'-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-2-carboximidamide
CID 56971262
2-Methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpiperidin-1-yl)methyl]pyrimidine
CID 138501606
N-[(5-methylpyrimidin-2-yl)methyl]-2,6-dipyridin-2-ylpyrimidin-4-amine
CID 3262159
4-Pyridin-3-yl-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 3431450
4-(4-Methylpiperazin-1-yl)-2-pyridin-3-yl-6-pyridin-4-ylpyrimidine
CID 3608410
N,N-diethyl-2,6-dipyridin-2-ylpyrimidin-4-amine
CID 4101317
4-Piperidin-1-yl-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine
CID 4187625
4-(4-Methylpiperazin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine
CID 4348221

Frequently Asked Questions

What is the IUPAC name of CID 139150015?
The IUPAC name of CID 139150015 (CID 139150015) is not available.
What is the SMILES notation for CID 139150015?
The canonical SMILES for CID 139150015 is [K].c1ccc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)nc1.c1ccc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)nc1.
What is the InChIKey of CID 139150015?
The InChIKey is OQKWKBYEVPMPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H12N6.K/c2*1-4-10-19-13(7-1)16-22-17(14-8-2-5-11-20-14)24-18(23-16)15-9-3-6-12-21-15;/h2*1-12H;.
What are the key properties of CID 139150015?
CID 139150015 has a molecular weight of 663.77 g/mol, XLogP of 5.73, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139150015 is sourced from PubChem (CID 139150015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).