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

C16H20FN3O — CID 115974766

IUPACN-[1-(2-fluorophenyl)ethyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
SMILESCc1cc(OC(C)C)nc(NC(C)c2ccccc2F)n1
InChIInChI=1S/C16H20FN3O/c1-10(2)21-15-9-11(3)18-16(20-15)19-12(4)13-7-5-6-8-14(13)17/h5-10,12H,1-4H3,(H,18,19,20)
InChIKeyQAWZHDIBHLHHSL-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.88
Rot. Bonds5

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

N-[1-(2-fluorophenyl)ethyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine (PubChem CID 115974766) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
PubChem CID115974766
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
SMILESCc1cc(OC(C)C)nc(NC(C)c2ccccc2F)n1
InChIInChI=1S/C16H20FN3O/c1-10(2)21-15-9-11(3)18-16(20-15)19-12(4)13-7-5-6-8-14(13)17/h5-10,12H,1-4H3,(H,18,19,20)
InChIKeyQAWZHDIBHLHHSL-UHFFFAOYSA-N
XLogP3.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyrimidin-2-amine
CID 112636615
4-methyl-N-(1-phenylpropan-2-yl)-6-propan-2-yloxypyrimidin-2-amine
CID 115975028
4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxypyrimidin-2-amine
CID 115974911
N-(4-chlorobutan-2-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112635800
N-(1-chloro-3-methylbutan-2-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112635672
3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol
CID 113495849
3-chloro-N-[1-(2-fluorophenyl)ethyl]-4-propan-2-yloxyaniline
CID 43727176
3-fluoro-N-[1-(2-fluorophenyl)ethyl]-4-methylaniline
CID 43195584
4-methyl-N-pent-4-en-2-yl-6-propan-2-yloxypyrimidin-2-amine
CID 113466642
N-[(5-bromo-2-fluorophenyl)methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 115974686
N-[1-(2-fluorophenyl)ethyl]-3,4-dimethylaniline
CID 43194139
1-N,1-N-diethyl-2-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)propane-1,2-diamine
CID 115974900

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine (CID 115974766) is N-[1-(2-fluorophenyl)ethyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine is Cc1cc(OC(C)C)nc(NC(C)c2ccccc2F)n1.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
The InChIKey is QAWZHDIBHLHHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-10(2)21-15-9-11(3)18-16(20-15)19-12(4)13-7-5-6-8-14(13)17/h5-10,12H,1-4H3,(H,18,19,20).
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
N-[1-(2-fluorophenyl)ethyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine has a molecular weight of 289.35 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 115974766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).