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

C15H18FN3O — CID 66325709

IUPACN-[2-(2-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
SMILESCC(C)Oc1cc(NCCc2ccccc2F)ncn1
InChIInChI=1S/C15H18FN3O/c1-11(2)20-15-9-14(18-10-19-15)17-8-7-12-5-3-4-6-13(12)16/h3-6,9-11H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyVKPZOBXODHZODM-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.06
Rot. Bonds6

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

N-[2-(2-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine (PubChem CID 66325709) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
PubChem CID66325709
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
SMILESCC(C)Oc1cc(NCCc2ccccc2F)ncn1
InChIInChI=1S/C15H18FN3O/c1-11(2)20-15-9-14(18-10-19-15)17-8-7-12-5-3-4-6-13(12)16/h3-6,9-11H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyVKPZOBXODHZODM-UHFFFAOYSA-N
XLogP3.06
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 61239779
4-N-tert-butyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861294
N-[(2-methoxyphenyl)methyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66327152
N-[2-(4-aminophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66331408
6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112861309
N'-propan-2-yl-N-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine
CID 66334042
6-propan-2-yloxy-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine
CID 66329575
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861279
N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66329570
4-N-(2,5-dimethylphenyl)-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861313
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine (CID 66325709) is N-[2-(2-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine is CC(C)Oc1cc(NCCc2ccccc2F)ncn1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine?
The InChIKey is VKPZOBXODHZODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-11(2)20-15-9-14(18-10-19-15)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-yloxypyrimidin-4-amine?
N-[2-(2-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine has a molecular weight of 275.33 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine is sourced from PubChem (CID 66325709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).