6-N-[(Z)-[1-[2-(4-cyclohexylphenoxy)ethyl]indol-3-yl]methylideneamino]-4-N,4-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine

C32H40N6O — CID 6057046

IUPAC6-N-[(Z)-[1-[2-(4-cyclohexylphenoxy)ethyl]indol-3-yl]methylideneamino]-4-N,4-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1nc(N/N=C\c2cn(CCOc3ccc(C4CCCCC4)cc3)c3ccccc23)cc(N(C)C)n1
InChIInChI=1S/C32H40N6O/c1-23(2)32-34-30(20-31(35-32)37(3)4)36-33-21-26-22-38(29-13-9-8-12-28(26)29)18-19-39-27-16-14-25(15-17-27)24-10-6-5-7-11-24/h8-9,12-17,20-24H,5-7,10-11,18-19H2,1-4H3,(H,34,35,36)/b33-21-
InChIKeyXRTVLYHTVHKYEZ-HWIUFGAZSA-N
MW524.71 g/mol
LogP7.19
Rot. Bonds10

About 6-N-[(Z)-[1-[2-(4-cyclohexylphenoxy)ethyl]indol-3-yl]methylideneamino]-4-N,4-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine

6-N-[(Z)-[1-[2-(4-cyclohexylphenoxy)ethyl]indol-3-yl]methylideneamino]-4-N,4-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 6057046) has the molecular formula C32H40N6O and a molecular weight of 524.71 g/mol. Its IUPAC name is 6-N-[(Z)-[1-[2-(4-cyclohexylphenoxy)ethyl]indol-3-yl]methylideneamino]-4-N,4-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[(Z)-[1-[2-(4-cyclohexylphenoxy)ethyl]indol-3-yl]methylideneamino]-4-N,4-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID6057046
Molecular FormulaC32H40N6O
Molecular Weight524.71 g/mol
Exact Mass524.33
IUPAC Name6-N-[(Z)-[1-[2-(4-cyclohexylphenoxy)ethyl]indol-3-yl]methylideneamino]-4-N,4-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1nc(N/N=C\c2cn(CCOc3ccc(C4CCCCC4)cc3)c3ccccc23)cc(N(C)C)n1
InChIInChI=1S/C32H40N6O/c1-23(2)32-34-30(20-31(35-32)37(3)4)36-33-21-26-22-38(29-13-9-8-12-28(26)29)18-19-39-27-16-14-25(15-17-27)24-10-6-5-7-11-24/h8-9,12-17,20-24H,5-7,10-11,18-19H2,1-4H3,(H,34,35,36)/b33-21-
InChIKeyXRTVLYHTVHKYEZ-HWIUFGAZSA-N
XLogP7.19
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.71
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-N-[(Z)-[1-[2-(4-cyclohexylphenoxy)ethyl]indol-3-yl]methylideneamino]-4-N,4-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine 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 6-N-[(Z)-[1-[2-(4-cyclohexylphenoxy)ethyl]indol-3-yl]methylideneamino]-4-N,4-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[(Z)-[1-[2-(4-cyclohexylphenoxy)ethyl]indol-3-yl]methylideneamino]-4-N,4-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 6057046) is 6-N-[(Z)-[1-[2-(4-cyclohexylphenoxy)ethyl]indol-3-yl]methylideneamino]-4-N,4-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[(Z)-[1-[2-(4-cyclohexylphenoxy)ethyl]indol-3-yl]methylideneamino]-4-N,4-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[(Z)-[1-[2-(4-cyclohexylphenoxy)ethyl]indol-3-yl]methylideneamino]-4-N,4-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine is CC(C)c1nc(N/N=C\c2cn(CCOc3ccc(C4CCCCC4)cc3)c3ccccc23)cc(N(C)C)n1.
What is the InChIKey of 6-N-[(Z)-[1-[2-(4-cyclohexylphenoxy)ethyl]indol-3-yl]methylideneamino]-4-N,4-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is XRTVLYHTVHKYEZ-HWIUFGAZSA-N. The full InChI is InChI=1S/C32H40N6O/c1-23(2)32-34-30(20-31(35-32)37(3)4)36-33-21-26-22-38(29-13-9-8-12-28(26)29)18-19-39-27-16-14-25(15-17-27)24-10-6-5-7-11-24/h8-9,12-17,20-24H,5-7,10-11,18-19H2,1-4H3,(H,34,35,36)/b33-21-.
What are the key properties of 6-N-[(Z)-[1-[2-(4-cyclohexylphenoxy)ethyl]indol-3-yl]methylideneamino]-4-N,4-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
6-N-[(Z)-[1-[2-(4-cyclohexylphenoxy)ethyl]indol-3-yl]methylideneamino]-4-N,4-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 524.71 g/mol, XLogP of 7.19, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(Z)-[1-[2-(4-cyclohexylphenoxy)ethyl]indol-3-yl]methylideneamino]-4-N,4-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 6057046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).