N-[2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine

C16H20FN3O — CID 63990215

IUPACN-[2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(OC)c(F)c1)c1ccncn1
InChIInChI=1S/C16H20FN3O/c1-3-7-19-15(14-6-8-18-11-20-14)10-12-4-5-16(21-2)13(17)9-12/h4-6,8-9,11,15,19H,3,7,10H2,1-2H3
InChIKeyPWXQDPYFXLJMRZ-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.91
Rot. Bonds7

About N-[2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine

N-[2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine (PubChem CID 63990215) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
PubChem CID63990215
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC NameN-[2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(OC)c(F)c1)c1ccncn1
InChIInChI=1S/C16H20FN3O/c1-3-7-19-15(14-6-8-18-11-20-14)10-12-4-5-16(21-2)13(17)9-12/h4-6,8-9,11,15,19H,3,7,10H2,1-2H3
InChIKeyPWXQDPYFXLJMRZ-UHFFFAOYSA-N
XLogP2.91
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-fluoro-4-methoxyphenyl)-1-pyrazin-2-ylethyl]propan-1-amine
CID 62601550
2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethanamine
CID 63988949
N-[2-(2-methoxy-5-methylphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 63989184
N-[2-(4-chlorophenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 63988984
N-[2-(3-fluoro-4-methoxyphenyl)-1-pyridazin-4-ylethyl]propan-1-amine
CID 105122244
N-[2-(3,5-dimethylphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 63990004
N-[2-(4-chloro-2-fluorophenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 114855708
1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 79198045
2-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530632
N-[2-(5-ethyl-2-pyridinyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 79748221
N-propyl-1-pyrimidin-4-ylethane-1,2-diamine
CID 63986807
1-(3-fluoro-4-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 65131905

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine?
The IUPAC name of N-[2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine (CID 63990215) is N-[2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine is CCCNC(Cc1ccc(OC)c(F)c1)c1ccncn1.
What is the InChIKey of N-[2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine?
The InChIKey is PWXQDPYFXLJMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-3-7-19-15(14-6-8-18-11-20-14)10-12-4-5-16(21-2)13(17)9-12/h4-6,8-9,11,15,19H,3,7,10H2,1-2H3.
What are the key properties of N-[2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine?
N-[2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine has a molecular weight of 289.35 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine is sourced from PubChem (CID 63990215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).