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

C20H17N5OS — CID 44565580

IUPACN-[4-[(2-aminophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESNc1ccccc1COc1ccc(Nc2nccc(-c3nccs3)n2)cc1
InChIInChI=1S/C20H17N5OS/c21-17-4-2-1-3-14(17)13-26-16-7-5-15(6-8-16)24-20-23-10-9-18(25-20)19-22-11-12-27-19/h1-12H,13,21H2,(H,23,24,25)
InChIKeyXTCSUCYCVHLQBF-UHFFFAOYSA-N
MW375.46 g/mol
LogP4.50
Rot. Bonds6

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

N-[4-[(2-aminophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (PubChem CID 44565580) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is N-[4-[(2-aminophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[(2-aminophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
PubChem CID44565580
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC NameN-[4-[(2-aminophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESNc1ccccc1COc1ccc(Nc2nccc(-c3nccs3)n2)cc1
InChIInChI=1S/C20H17N5OS/c21-17-4-2-1-3-14(17)13-26-16-7-5-15(6-8-16)24-20-23-10-9-18(25-20)19-22-11-12-27-19/h1-12H,13,21H2,(H,23,24,25)
InChIKeyXTCSUCYCVHLQBF-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'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-aminophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The IUPAC name of N-[4-[(2-aminophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (CID 44565580) is N-[4-[(2-aminophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[4-[(2-aminophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-[4-[(2-aminophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is Nc1ccccc1COc1ccc(Nc2nccc(-c3nccs3)n2)cc1.
What is the InChIKey of N-[4-[(2-aminophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The InChIKey is XTCSUCYCVHLQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c21-17-4-2-1-3-14(17)13-26-16-7-5-15(6-8-16)24-20-23-10-9-18(25-20)19-22-11-12-27-19/h1-12H,13,21H2,(H,23,24,25).
What are the key properties of N-[4-[(2-aminophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
N-[4-[(2-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-[4-[(2-aminophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 44565580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).