N-[1-(3-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine

C15H18FN3O — CID 66329975

IUPACN-[1-(3-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
SMILESCC(C)Oc1cc(NC(C)c2cccc(F)c2)ncn1
InChIInChI=1S/C15H18FN3O/c1-10(2)20-15-8-14(17-9-18-15)19-11(3)12-5-4-6-13(16)7-12/h4-11H,1-3H3,(H,17,18,19)
InChIKeyDFLSDTGLWUMMAI-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.58
Rot. Bonds5

About N-[1-(3-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine

N-[1-(3-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine (PubChem CID 66329975) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
PubChem CID66329975
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-[1-(3-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
SMILESCC(C)Oc1cc(NC(C)c2cccc(F)c2)ncn1
InChIInChI=1S/C15H18FN3O/c1-10(2)20-15-8-14(17-9-18-15)19-11(3)12-5-4-6-13(16)7-12/h4-11H,1-3H3,(H,17,18,19)
InChIKeyDFLSDTGLWUMMAI-UHFFFAOYSA-N
XLogP3.58
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-fluorophenyl)ethyl]-2-propan-2-yloxypyridin-3-amine
CID 61374230
N-[1-(3-chlorophenyl)ethyl]-6-fluoropyrimidin-4-amine
CID 115416691
6-(2-methylpropoxy)-N-(1-phenylethyl)pyrimidin-4-amine
CID 82453564
2-chloro-N-[1-(3-fluorophenyl)ethyl]pyrimidin-4-amine
CID 62342660
3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43096359
6-butoxy-N-(1-phenylethyl)pyrimidin-4-amine
CID 82453611
N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 60631349
4-N-[1-(3-fluorophenyl)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64831253
4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4,6-triamine
CID 80801904
N-[1-(3-fluorophenyl)ethyl]-1,5-dimethylpyrazol-3-amine
CID 113287971
2-[(6-propan-2-yloxypyrimidin-4-yl)amino]propanamide
CID 66329750
1-N,1-N-dimethyl-2-N-(6-propan-2-yloxypyrimidin-4-yl)propane-1,2-diamine
CID 82938650

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine?
The IUPAC name of N-[1-(3-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine (CID 66329975) is N-[1-(3-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine is CC(C)Oc1cc(NC(C)c2cccc(F)c2)ncn1.
What is the InChIKey of N-[1-(3-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine?
The InChIKey is DFLSDTGLWUMMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-10(2)20-15-8-14(17-9-18-15)19-11(3)12-5-4-6-13(16)7-12/h4-11H,1-3H3,(H,17,18,19).
What are the key properties of N-[1-(3-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine?
N-[1-(3-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine has a molecular weight of 275.33 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine is sourced from PubChem (CID 66329975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).