N-[3-[(3-aminophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine

C20H17N5OS — CID 10199490

IUPACN-[3-[(3-aminophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESNc1cccc(COc2cccc(Nc3nccc(-c4nccs4)n3)c2)c1
InChIInChI=1S/C20H17N5OS/c21-15-4-1-3-14(11-15)13-26-17-6-2-5-16(12-17)24-20-23-8-7-18(25-20)19-22-9-10-27-19/h1-12H,13,21H2,(H,23,24,25)
InChIKeyBRADWKYJOADHLZ-UHFFFAOYSA-N
MW375.46 g/mol
LogP4.50
Rot. Bonds6

About N-[3-[(3-aminophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine

N-[3-[(3-aminophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (PubChem CID 10199490) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is N-[3-[(3-aminophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-[(3-aminophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
PubChem CID10199490
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC NameN-[3-[(3-aminophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESNc1cccc(COc2cccc(Nc3nccc(-c4nccs4)n3)c2)c1
InChIInChI=1S/C20H17N5OS/c21-15-4-1-3-14(11-15)13-26-17-6-2-5-16(12-17)24-20-23-8-7-18(25-20)19-22-9-10-27-19/h1-12H,13,21H2,(H,23,24,25)
InChIKeyBRADWKYJOADHLZ-UHFFFAOYSA-N
XLogP4.50
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[3-[(3-aminophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)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 N-[3-[(3-aminophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The IUPAC name of N-[3-[(3-aminophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (CID 10199490) is N-[3-[(3-aminophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[3-[(3-aminophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-[3-[(3-aminophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is Nc1cccc(COc2cccc(Nc3nccc(-c4nccs4)n3)c2)c1.
What is the InChIKey of N-[3-[(3-aminophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The InChIKey is BRADWKYJOADHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c21-15-4-1-3-14(11-15)13-26-17-6-2-5-16(12-17)24-20-23-8-7-18(25-20)19-22-9-10-27-19/h1-12H,13,21H2,(H,23,24,25).
What are the key properties of N-[3-[(3-aminophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
N-[3-[(3-aminophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine has a molecular weight of 375.46 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-aminophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 10199490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).