4-(2-methoxy-4-methylphenoxy)-N-(4-morpholin-4-ylphenyl)-5-[(3-propan-2-yloxyphenyl)methylideneamino]pyrimidin-2-amine

C32H35N5O4 — CID 137365226

IUPAC4-(2-methoxy-4-methylphenoxy)-N-(4-morpholin-4-ylphenyl)-5-[(3-propan-2-yloxyphenyl)methylideneamino]pyrimidin-2-amine
SMILESCOc1cc(C)ccc1Oc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1/N=C/c1cccc(OC(C)C)c1
InChIInChI=1S/C32H35N5O4/c1-22(2)40-27-7-5-6-24(19-27)20-33-28-21-34-32(36-31(28)41-29-13-8-23(3)18-30(29)38-4)35-25-9-11-26(12-10-25)37-14-16-39-17-15-37/h5-13,18-22H,14-17H2,1-4H3,(H,34,35,36)/b33-20+
InChIKeyAIOYRLXBZZBYRY-FMFFXOCNSA-N
MW553.66 g/mol
LogP6.70
Rot. Bonds10

About 4-(2-methoxy-4-methylphenoxy)-N-(4-morpholin-4-ylphenyl)-5-[(3-propan-2-yloxyphenyl)methylideneamino]pyrimidin-2-amine

4-(2-methoxy-4-methylphenoxy)-N-(4-morpholin-4-ylphenyl)-5-[(3-propan-2-yloxyphenyl)methylideneamino]pyrimidin-2-amine (PubChem CID 137365226) has the molecular formula C32H35N5O4 and a molecular weight of 553.66 g/mol. Its IUPAC name is 4-(2-methoxy-4-methylphenoxy)-N-(4-morpholin-4-ylphenyl)-5-[(3-propan-2-yloxyphenyl)methylideneamino]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methoxy-4-methylphenoxy)-N-(4-morpholin-4-ylphenyl)-5-[(3-propan-2-yloxyphenyl)methylideneamino]pyrimidin-2-amine
PubChem CID137365226
Molecular FormulaC32H35N5O4
Molecular Weight553.66 g/mol
Exact Mass553.27
IUPAC Name4-(2-methoxy-4-methylphenoxy)-N-(4-morpholin-4-ylphenyl)-5-[(3-propan-2-yloxyphenyl)methylideneamino]pyrimidin-2-amine
SMILESCOc1cc(C)ccc1Oc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1/N=C/c1cccc(OC(C)C)c1
InChIInChI=1S/C32H35N5O4/c1-22(2)40-27-7-5-6-24(19-27)20-33-28-21-34-32(36-31(28)41-29-13-8-23(3)18-30(29)38-4)35-25-9-11-26(12-10-25)37-14-16-39-17-15-37/h5-13,18-22H,14-17H2,1-4H3,(H,34,35,36)/b33-20+
InChIKeyAIOYRLXBZZBYRY-FMFFXOCNSA-N
XLogP6.70
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.66
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-(2-methoxy-4-methylphenoxy)-N-(4-morpholin-4-ylphenyl)-5-[(3-propan-2-yloxyphenyl)methylideneamino]pyrimidin-2-amine 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-(2-methoxy-4-methylphenoxy)-N-(4-morpholin-4-ylphenyl)-5-[(3-propan-2-yloxyphenyl)methylideneamino]pyrimidin-2-amine?
The IUPAC name of 4-(2-methoxy-4-methylphenoxy)-N-(4-morpholin-4-ylphenyl)-5-[(3-propan-2-yloxyphenyl)methylideneamino]pyrimidin-2-amine (CID 137365226) is 4-(2-methoxy-4-methylphenoxy)-N-(4-morpholin-4-ylphenyl)-5-[(3-propan-2-yloxyphenyl)methylideneamino]pyrimidin-2-amine.
What is the SMILES notation for 4-(2-methoxy-4-methylphenoxy)-N-(4-morpholin-4-ylphenyl)-5-[(3-propan-2-yloxyphenyl)methylideneamino]pyrimidin-2-amine?
The canonical SMILES for 4-(2-methoxy-4-methylphenoxy)-N-(4-morpholin-4-ylphenyl)-5-[(3-propan-2-yloxyphenyl)methylideneamino]pyrimidin-2-amine is COc1cc(C)ccc1Oc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1/N=C/c1cccc(OC(C)C)c1.
What is the InChIKey of 4-(2-methoxy-4-methylphenoxy)-N-(4-morpholin-4-ylphenyl)-5-[(3-propan-2-yloxyphenyl)methylideneamino]pyrimidin-2-amine?
The InChIKey is AIOYRLXBZZBYRY-FMFFXOCNSA-N. The full InChI is InChI=1S/C32H35N5O4/c1-22(2)40-27-7-5-6-24(19-27)20-33-28-21-34-32(36-31(28)41-29-13-8-23(3)18-30(29)38-4)35-25-9-11-26(12-10-25)37-14-16-39-17-15-37/h5-13,18-22H,14-17H2,1-4H3,(H,34,35,36)/b33-20+.
What are the key properties of 4-(2-methoxy-4-methylphenoxy)-N-(4-morpholin-4-ylphenyl)-5-[(3-propan-2-yloxyphenyl)methylideneamino]pyrimidin-2-amine?
4-(2-methoxy-4-methylphenoxy)-N-(4-morpholin-4-ylphenyl)-5-[(3-propan-2-yloxyphenyl)methylideneamino]pyrimidin-2-amine has a molecular weight of 553.66 g/mol, XLogP of 6.70, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-4-methylphenoxy)-N-(4-morpholin-4-ylphenyl)-5-[(3-propan-2-yloxyphenyl)methylideneamino]pyrimidin-2-amine is sourced from PubChem (CID 137365226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).