N-(3-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidin-2-amine

C18H16FN3O — CID 95922726

IUPACN-(3-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidin-2-amine
SMILESCc1cc(OCc2ccccc2)nc(Nc2cccc(F)c2)n1
InChIInChI=1S/C18H16FN3O/c1-13-10-17(23-12-14-6-3-2-4-7-14)22-18(20-13)21-16-9-5-8-15(19)11-16/h2-11H,12H2,1H3,(H,20,21,22)
InChIKeyRHEMLIVSZJUMJC-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.25
Rot. Bonds5

About N-(3-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidin-2-amine

N-(3-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidin-2-amine (PubChem CID 95922726) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidin-2-amine
PubChem CID95922726
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC NameN-(3-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidin-2-amine
SMILESCc1cc(OCc2ccccc2)nc(Nc2cccc(F)c2)n1
InChIInChI=1S/C18H16FN3O/c1-13-10-17(23-12-14-6-3-2-4-7-14)22-18(20-13)21-16-9-5-8-15(19)11-16/h2-11H,12H2,1H3,(H,20,21,22)
InChIKeyRHEMLIVSZJUMJC-UHFFFAOYSA-N
XLogP4.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3-fluorophenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112926861
2-[2-(3-fluoroanilino)-6-methylpyrimidin-4-yl]oxy-N-[(4-methylphenyl)methyl]acetamide
CID 95922735
N-(3-fluorophenyl)-5-iodo-4-phenylmethoxypyrimidin-2-amine
CID 90052148
2-N-(3-fluorophenyl)-6-methyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112931850
2-(4-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidine
CID 95922321
4-N-(3-fluorophenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112906273
2-(4-fluorophenyl)-4-[(3-fluorophenyl)methoxy]-6-methylpyrimidine
CID 95922322
3-N-(3-fluorophenyl)-5-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112969058
4-N-(2,6-dimethylphenyl)-2-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112928394
4-cyclopropyl-N-(3-fluorophenyl)-6-methylpyrimidin-2-amine
CID 19874089
2-N-(3-bromophenyl)-4-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112931864
2-N-[4-(diethylamino)phenyl]-4-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112931751

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidin-2-amine?
The IUPAC name of N-(3-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidin-2-amine (CID 95922726) is N-(3-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidin-2-amine.
What is the SMILES notation for N-(3-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidin-2-amine?
The canonical SMILES for N-(3-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidin-2-amine is Cc1cc(OCc2ccccc2)nc(Nc2cccc(F)c2)n1.
What is the InChIKey of N-(3-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidin-2-amine?
The InChIKey is RHEMLIVSZJUMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-13-10-17(23-12-14-6-3-2-4-7-14)22-18(20-13)21-16-9-5-8-15(19)11-16/h2-11H,12H2,1H3,(H,20,21,22).
What are the key properties of N-(3-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidin-2-amine?
N-(3-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidin-2-amine has a molecular weight of 309.34 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidin-2-amine is sourced from PubChem (CID 95922726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).