4-N,6-N-bis(1-pyridin-4-ylethylideneamino)-2-N-[4-[2-(1-pyridin-4-ylethylidene)hydrazinyl]phenyl]pyrimidine-2,4,6-triamine

C31H30N12 — CID 139976309

IUPAC4-N,6-N-bis(1-pyridin-4-ylethylideneamino)-2-N-[4-[2-(1-pyridin-4-ylethylidene)hydrazinyl]phenyl]pyrimidine-2,4,6-triamine
SMILESCC(=NNc1ccc(Nc2nc(NN=C(C)c3ccncc3)cc(NN=C(C)c3ccncc3)n2)cc1)c1ccncc1
InChIInChI=1S/C31H30N12/c1-21(24-8-14-32-15-9-24)38-41-28-6-4-27(5-7-28)35-31-36-29(42-39-22(2)25-10-16-33-17-11-25)20-30(37-31)43-40-23(3)26-12-18-34-19-13-26/h4-20,41H,1-3H3,(H3,35,36,37,42,43)
InChIKeyLIDPNLQTPUAINN-UHFFFAOYSA-N
MW570.67 g/mol
LogP5.91
Rot. Bonds11

About 4-N,6-N-bis(1-pyridin-4-ylethylideneamino)-2-N-[4-[2-(1-pyridin-4-ylethylidene)hydrazinyl]phenyl]pyrimidine-2,4,6-triamine

4-N,6-N-bis(1-pyridin-4-ylethylideneamino)-2-N-[4-[2-(1-pyridin-4-ylethylidene)hydrazinyl]phenyl]pyrimidine-2,4,6-triamine (PubChem CID 139976309) has the molecular formula C31H30N12 and a molecular weight of 570.67 g/mol. Its IUPAC name is 4-N,6-N-bis(1-pyridin-4-ylethylideneamino)-2-N-[4-[2-(1-pyridin-4-ylethylidene)hydrazinyl]phenyl]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N,6-N-bis(1-pyridin-4-ylethylideneamino)-2-N-[4-[2-(1-pyridin-4-ylethylidene)hydrazinyl]phenyl]pyrimidine-2,4,6-triamine
PubChem CID139976309
Molecular FormulaC31H30N12
Molecular Weight570.67 g/mol
Exact Mass570.27
IUPAC Name4-N,6-N-bis(1-pyridin-4-ylethylideneamino)-2-N-[4-[2-(1-pyridin-4-ylethylidene)hydrazinyl]phenyl]pyrimidine-2,4,6-triamine
SMILESCC(=NNc1ccc(Nc2nc(NN=C(C)c3ccncc3)cc(NN=C(C)c3ccncc3)n2)cc1)c1ccncc1
InChIInChI=1S/C31H30N12/c1-21(24-8-14-32-15-9-24)38-41-28-6-4-27(5-7-28)35-31-36-29(42-39-22(2)25-10-16-33-17-11-25)20-30(37-31)43-40-23(3)26-12-18-34-19-13-26/h4-20,41H,1-3H3,(H3,35,36,37,42,43)
InChIKeyLIDPNLQTPUAINN-UHFFFAOYSA-N
XLogP5.91
TPSA149.65 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500570.67
LogP ≤ 55.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-N,6-N-bis(1-pyridin-4-ylethylideneamino)-2-N-[4-[2-(1-pyridin-4-ylethylidene)hydrazinyl]phenyl]pyrimidine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-bis(1-pyridin-4-ylethylideneamino)-2-N-[4-[2-(1-pyridin-4-ylethylidene)hydrazinyl]phenyl]pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N,6-N-bis(1-pyridin-4-ylethylideneamino)-2-N-[4-[2-(1-pyridin-4-ylethylidene)hydrazinyl]phenyl]pyrimidine-2,4,6-triamine (CID 139976309) is 4-N,6-N-bis(1-pyridin-4-ylethylideneamino)-2-N-[4-[2-(1-pyridin-4-ylethylidene)hydrazinyl]phenyl]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N,6-N-bis(1-pyridin-4-ylethylideneamino)-2-N-[4-[2-(1-pyridin-4-ylethylidene)hydrazinyl]phenyl]pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N,6-N-bis(1-pyridin-4-ylethylideneamino)-2-N-[4-[2-(1-pyridin-4-ylethylidene)hydrazinyl]phenyl]pyrimidine-2,4,6-triamine is CC(=NNc1ccc(Nc2nc(NN=C(C)c3ccncc3)cc(NN=C(C)c3ccncc3)n2)cc1)c1ccncc1.
What is the InChIKey of 4-N,6-N-bis(1-pyridin-4-ylethylideneamino)-2-N-[4-[2-(1-pyridin-4-ylethylidene)hydrazinyl]phenyl]pyrimidine-2,4,6-triamine?
The InChIKey is LIDPNLQTPUAINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N12/c1-21(24-8-14-32-15-9-24)38-41-28-6-4-27(5-7-28)35-31-36-29(42-39-22(2)25-10-16-33-17-11-25)20-30(37-31)43-40-23(3)26-12-18-34-19-13-26/h4-20,41H,1-3H3,(H3,35,36,37,42,43).
What are the key properties of 4-N,6-N-bis(1-pyridin-4-ylethylideneamino)-2-N-[4-[2-(1-pyridin-4-ylethylidene)hydrazinyl]phenyl]pyrimidine-2,4,6-triamine?
4-N,6-N-bis(1-pyridin-4-ylethylideneamino)-2-N-[4-[2-(1-pyridin-4-ylethylidene)hydrazinyl]phenyl]pyrimidine-2,4,6-triamine has a molecular weight of 570.67 g/mol, XLogP of 5.91, 11 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-bis(1-pyridin-4-ylethylideneamino)-2-N-[4-[2-(1-pyridin-4-ylethylidene)hydrazinyl]phenyl]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 139976309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).