2-fluoro-N-(3-phenylmethoxyphenyl)pyrimidin-4-amine

C17H14FN3O — CID 164645110

IUPAC2-fluoro-N-(3-phenylmethoxyphenyl)pyrimidin-4-amine
SMILESFc1nccc(Nc2cccc(OCc3ccccc3)c2)n1
InChIInChI=1S/C17H14FN3O/c18-17-19-10-9-16(21-17)20-14-7-4-8-15(11-14)22-12-13-5-2-1-3-6-13/h1-11H,12H2,(H,19,20,21)
InChIKeyPFCTZDHMQOXAHX-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.94
Rot. Bonds5

About 2-fluoro-N-(3-phenylmethoxyphenyl)pyrimidin-4-amine

2-fluoro-N-(3-phenylmethoxyphenyl)pyrimidin-4-amine (PubChem CID 164645110) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is 2-fluoro-N-(3-phenylmethoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-fluoro-N-(3-phenylmethoxyphenyl)pyrimidin-4-amine
PubChem CID164645110
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC Name2-fluoro-N-(3-phenylmethoxyphenyl)pyrimidin-4-amine
SMILESFc1nccc(Nc2cccc(OCc3ccccc3)c2)n1
InChIInChI=1S/C17H14FN3O/c18-17-19-10-9-16(21-17)20-14-7-4-8-15(11-14)22-12-13-5-2-1-3-6-13/h1-11H,12H2,(H,19,20,21)
InChIKeyPFCTZDHMQOXAHX-UHFFFAOYSA-N
XLogP3.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine
CID 130566009
4-N-(3-fluorophenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112906273
4-N-(3-methylphenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112901890
5-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine
CID 130566029
6-fluoro-N-(4-phenylmethoxyphenyl)pyridin-2-amine
CID 130565967
4-N-(3-phenylmethoxyphenyl)benzene-1,4-diamine
CID 171831022
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
N-benzyl-3-phenylmethoxyaniline
CID 54801332
(3-phenylmethoxyphenyl)hydrazine;hydrochloride
CID 12891839
5-(4-fluorophenoxy)-N-[3-(phenoxymethyl)phenyl]pyridin-2-amine
CID 59588925
3-N-(3-fluorophenyl)-5-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112969058
4-fluoro-2-(3-phenylmethoxyanilino)benzoic acid
CID 169410438

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-phenylmethoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 2-fluoro-N-(3-phenylmethoxyphenyl)pyrimidin-4-amine (CID 164645110) is 2-fluoro-N-(3-phenylmethoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-fluoro-N-(3-phenylmethoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-fluoro-N-(3-phenylmethoxyphenyl)pyrimidin-4-amine is Fc1nccc(Nc2cccc(OCc3ccccc3)c2)n1.
What is the InChIKey of 2-fluoro-N-(3-phenylmethoxyphenyl)pyrimidin-4-amine?
The InChIKey is PFCTZDHMQOXAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c18-17-19-10-9-16(21-17)20-14-7-4-8-15(11-14)22-12-13-5-2-1-3-6-13/h1-11H,12H2,(H,19,20,21).
What are the key properties of 2-fluoro-N-(3-phenylmethoxyphenyl)pyrimidin-4-amine?
2-fluoro-N-(3-phenylmethoxyphenyl)pyrimidin-4-amine has a molecular weight of 295.32 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-phenylmethoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 164645110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).