N-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine

C15H18FN3 — CID 61239779

IUPACN-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NCCc2ccccc2F)ncn1
InChIInChI=1S/C15H18FN3/c1-11(2)14-9-15(19-10-18-14)17-8-7-12-5-3-4-6-13(12)16/h3-6,9-11H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyYMXHVWMLVJHGGM-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.39
Rot. Bonds5

About N-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine

N-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine (PubChem CID 61239779) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine
PubChem CID61239779
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NCCc2ccccc2F)ncn1
InChIInChI=1S/C15H18FN3/c1-11(2)14-9-15(19-10-18-14)17-8-7-12-5-3-4-6-13(12)16/h3-6,9-11H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyYMXHVWMLVJHGGM-UHFFFAOYSA-N
XLogP3.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66325709
4-N-tert-butyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861294
N-[2-(3,5-difluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 62614721
6-propan-2-yl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 61240928
6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112861309
4-N-(2,5-dimethylphenyl)-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861313
N-[(2-ethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 64695520
4-N-cyclohexyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112856213
4-N-(4-bromophenyl)-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861329
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861279
N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 61240160
6-N-[2-(2-fluorophenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858566

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine (CID 61239779) is N-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine is CC(C)c1cc(NCCc2ccccc2F)ncn1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is YMXHVWMLVJHGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-11(2)14-9-15(19-10-18-14)17-8-7-12-5-3-4-6-13(12)16/h3-6,9-11H,7-8H2,1-2H3,(H,17,18,19).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine?
N-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 259.33 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 61239779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).