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

C16H20FN3O — CID 115974734

IUPACN-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NC(C)c2ccc(F)cc2)n1
InChIInChI=1S/C16H20FN3O/c1-4-9-21-15-10-11(2)18-16(20-15)19-12(3)13-5-7-14(17)8-6-13/h5-8,10,12H,4,9H2,1-3H3,(H,18,19,20)
InChIKeyTWCAOGCBGUYRED-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.89
Rot. Bonds6

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

N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine (PubChem CID 115974734) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine
PubChem CID115974734
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NC(C)c2ccc(F)cc2)n1
InChIInChI=1S/C16H20FN3O/c1-4-9-21-15-10-11(2)18-16(20-15)19-12(3)13-5-7-14(17)8-6-13/h5-8,10,12H,4,9H2,1-3H3,(H,18,19,20)
InChIKeyTWCAOGCBGUYRED-UHFFFAOYSA-N
XLogP3.89
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-propan-2-yl-6-propoxypyrimidin-2-amine
CID 112636364
N-[1-(4-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 60726849
4-methyl-6-propoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-2-amine
CID 106282926
4-methyl-6-propoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 112636733
4-methyl-6-propoxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine
CID 112637867
4-methyl-N-(1-phenylpropyl)-6-propoxypyrimidin-2-amine
CID 115974921
N-hexan-3-yl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637434
1-N,1-N,3-trimethyl-2-N-(4-methyl-6-propoxypyrimidin-2-yl)butane-1,2-diamine
CID 115974718
3-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propan-1-ol
CID 114156370
N-[1-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 62960002
1-N,1-N,4-trimethyl-2-N-(4-methyl-6-propoxypyrimidin-2-yl)pentane-1,2-diamine
CID 115974797
4-methyl-6-propoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine
CID 115974776

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine (CID 115974734) is N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine is CCCOc1cc(C)nc(NC(C)c2ccc(F)cc2)n1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine?
The InChIKey is TWCAOGCBGUYRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-4-9-21-15-10-11(2)18-16(20-15)19-12(3)13-5-7-14(17)8-6-13/h5-8,10,12H,4,9H2,1-3H3,(H,18,19,20).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine?
N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine has a molecular weight of 289.35 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine is sourced from PubChem (CID 115974734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).