N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-4-methylpyrimidin-2-amine

C15H18FN3O2 — CID 133304370

IUPACN-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-4-methylpyrimidin-2-amine
SMILESCOc1cc(F)c(C(C)Nc2nccc(C)n2)cc1OC
InChIInChI=1S/C15H18FN3O2/c1-9-5-6-17-15(18-9)19-10(2)11-7-13(20-3)14(21-4)8-12(11)16/h5-8,10H,1-4H3,(H,17,18,19)
InChIKeyDRIDQYCPCGIMGW-UHFFFAOYSA-N
MW291.33 g/mol
LogP3.11
Rot. Bonds5

About N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-4-methylpyrimidin-2-amine

N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-4-methylpyrimidin-2-amine (PubChem CID 133304370) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-4-methylpyrimidin-2-amine
PubChem CID133304370
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC NameN-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-4-methylpyrimidin-2-amine
SMILESCOc1cc(F)c(C(C)Nc2nccc(C)n2)cc1OC
InChIInChI=1S/C15H18FN3O2/c1-9-5-6-17-15(18-9)19-10(2)11-7-13(20-3)14(21-4)8-12(11)16/h5-8,10H,1-4H3,(H,17,18,19)
InChIKeyDRIDQYCPCGIMGW-UHFFFAOYSA-N
XLogP3.11
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-4-methylpyrimidin-2-amine?
The IUPAC name of N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-4-methylpyrimidin-2-amine (CID 133304370) is N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-4-methylpyrimidin-2-amine?
The canonical SMILES for N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-4-methylpyrimidin-2-amine is COc1cc(F)c(C(C)Nc2nccc(C)n2)cc1OC.
What is the InChIKey of N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-4-methylpyrimidin-2-amine?
The InChIKey is DRIDQYCPCGIMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-9-5-6-17-15(18-9)19-10(2)11-7-13(20-3)14(21-4)8-12(11)16/h5-8,10H,1-4H3,(H,17,18,19).
What are the key properties of N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-4-methylpyrimidin-2-amine?
N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-4-methylpyrimidin-2-amine has a molecular weight of 291.33 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-4-methylpyrimidin-2-amine is sourced from PubChem (CID 133304370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).