N-(3-fluorophenyl)-5-iodo-4-phenylmethoxypyrimidin-2-amine

C17H13FIN3O — CID 90052148

IUPACN-(3-fluorophenyl)-5-iodo-4-phenylmethoxypyrimidin-2-amine
SMILESFc1cccc(Nc2ncc(I)c(OCc3ccccc3)n2)c1
InChIInChI=1S/C17H13FIN3O/c18-13-7-4-8-14(9-13)21-17-20-10-15(19)16(22-17)23-11-12-5-2-1-3-6-12/h1-10H,11H2,(H,20,21,22)
InChIKeyMOVGANFIMUWROC-UHFFFAOYSA-N
MW421.21 g/mol
LogP4.54
Rot. Bonds5

About N-(3-fluorophenyl)-5-iodo-4-phenylmethoxypyrimidin-2-amine

N-(3-fluorophenyl)-5-iodo-4-phenylmethoxypyrimidin-2-amine (PubChem CID 90052148) has the molecular formula C17H13FIN3O and a molecular weight of 421.21 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-iodo-4-phenylmethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-iodo-4-phenylmethoxypyrimidin-2-amine
PubChem CID90052148
Molecular FormulaC17H13FIN3O
Molecular Weight421.21 g/mol
Exact Mass421.01
IUPAC NameN-(3-fluorophenyl)-5-iodo-4-phenylmethoxypyrimidin-2-amine
SMILESFc1cccc(Nc2ncc(I)c(OCc3ccccc3)n2)c1
InChIInChI=1S/C17H13FIN3O/c18-13-7-4-8-14(9-13)21-17-20-10-15(19)16(22-17)23-11-12-5-2-1-3-6-12/h1-10H,11H2,(H,20,21,22)
InChIKeyMOVGANFIMUWROC-UHFFFAOYSA-N
XLogP4.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.21
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidin-2-amine
CID 95922726
4-N-(3-fluorophenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112906273
N-(3-fluorophenyl)-5-iodopyrimidin-2-amine
CID 116648839
2-[2-[3-[2-(3-fluoroanilino)-4-phenylmethoxypyrimidin-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione
CID 90052376
3-N-(3-fluorophenyl)-5-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112969058
5-(2,4-difluorophenyl)-N-phenyl-6-phenylmethoxypyridin-3-amine
CID 166033651
2-fluoro-N-(3-phenylmethoxyphenyl)pyrimidin-4-amine
CID 164645110
N-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
CID 117100689
2-(3-fluoroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 16719433
N-(3-fluorophenyl)-2-[4-[(6-fluoro-7-phenylmethoxyquinazolin-2-yl)amino]pyrazol-1-yl]acetamide;hydrochloride
CID 68639068
3-fluoro-N-phenylaniline
CID 2774466
3-N-benzyl-5-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112947826

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5-iodo-4-phenylmethoxypyrimidin-2-amine?
The IUPAC name of N-(3-fluorophenyl)-5-iodo-4-phenylmethoxypyrimidin-2-amine (CID 90052148) is N-(3-fluorophenyl)-5-iodo-4-phenylmethoxypyrimidin-2-amine.
What is the SMILES notation for N-(3-fluorophenyl)-5-iodo-4-phenylmethoxypyrimidin-2-amine?
The canonical SMILES for N-(3-fluorophenyl)-5-iodo-4-phenylmethoxypyrimidin-2-amine is Fc1cccc(Nc2ncc(I)c(OCc3ccccc3)n2)c1.
What is the InChIKey of N-(3-fluorophenyl)-5-iodo-4-phenylmethoxypyrimidin-2-amine?
The InChIKey is MOVGANFIMUWROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FIN3O/c18-13-7-4-8-14(9-13)21-17-20-10-15(19)16(22-17)23-11-12-5-2-1-3-6-12/h1-10H,11H2,(H,20,21,22).
What are the key properties of N-(3-fluorophenyl)-5-iodo-4-phenylmethoxypyrimidin-2-amine?
N-(3-fluorophenyl)-5-iodo-4-phenylmethoxypyrimidin-2-amine has a molecular weight of 421.21 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5-iodo-4-phenylmethoxypyrimidin-2-amine is sourced from PubChem (CID 90052148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).