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

C20H15FN4OS — CID 10177676

IUPACN-[3-[(2-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESFc1ccccc1COc1cccc(Nc2nccc(-c3nccs3)n2)c1
InChIInChI=1S/C20H15FN4OS/c21-17-7-2-1-4-14(17)13-26-16-6-3-5-15(12-16)24-20-23-9-8-18(25-20)19-22-10-11-27-19/h1-12H,13H2,(H,23,24,25)
InChIKeyRASXTJWZUUAGDG-UHFFFAOYSA-N
MW378.43 g/mol
LogP5.06
Rot. Bonds6

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

N-[3-[(2-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (PubChem CID 10177676) has the molecular formula C20H15FN4OS and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[3-[(2-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-[(2-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
PubChem CID10177676
Molecular FormulaC20H15FN4OS
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC NameN-[3-[(2-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESFc1ccccc1COc1cccc(Nc2nccc(-c3nccs3)n2)c1
InChIInChI=1S/C20H15FN4OS/c21-17-7-2-1-4-14(17)13-26-16-6-3-5-15(12-16)24-20-23-9-8-18(25-20)19-22-10-11-27-19/h1-12H,13H2,(H,23,24,25)
InChIKeyRASXTJWZUUAGDG-UHFFFAOYSA-N
XLogP5.06
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The IUPAC name of N-[3-[(2-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (CID 10177676) is N-[3-[(2-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[3-[(2-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-[3-[(2-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is Fc1ccccc1COc1cccc(Nc2nccc(-c3nccs3)n2)c1.
What is the InChIKey of N-[3-[(2-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The InChIKey is RASXTJWZUUAGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4OS/c21-17-7-2-1-4-14(17)13-26-16-6-3-5-15(12-16)24-20-23-9-8-18(25-20)19-22-10-11-27-19/h1-12H,13H2,(H,23,24,25).
What are the key properties of N-[3-[(2-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
N-[3-[(2-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine has a molecular weight of 378.43 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 10177676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).