N-[[2-(3-fluoro-4-methylphenyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine

C17H22FN3 — CID 62746589

IUPACN-[[2-(3-fluoro-4-methylphenyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(CNCC(C)C)nc(-c2ccc(C)c(F)c2)n1
InChIInChI=1S/C17H22FN3/c1-11(2)9-19-10-15-7-13(4)20-17(21-15)14-6-5-12(3)16(18)8-14/h5-8,11,19H,9-10H2,1-4H3
InChIKeyDMEACGHUYMNMEW-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.65
Rot. Bonds5

About N-[[2-(3-fluoro-4-methylphenyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine

N-[[2-(3-fluoro-4-methylphenyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62746589) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[[2-(3-fluoro-4-methylphenyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-fluoro-4-methylphenyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID62746589
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC NameN-[[2-(3-fluoro-4-methylphenyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(CNCC(C)C)nc(-c2ccc(C)c(F)c2)n1
InChIInChI=1S/C17H22FN3/c1-11(2)9-19-10-15-7-13(4)20-17(21-15)14-6-5-12(3)16(18)8-14/h5-8,11,19H,9-10H2,1-4H3
InChIKeyDMEACGHUYMNMEW-UHFFFAOYSA-N
XLogP3.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluoro-4-methylphenyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(3-fluoro-4-methylphenyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine (CID 62746589) is N-[[2-(3-fluoro-4-methylphenyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(3-fluoro-4-methylphenyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(3-fluoro-4-methylphenyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine is Cc1cc(CNCC(C)C)nc(-c2ccc(C)c(F)c2)n1.
What is the InChIKey of N-[[2-(3-fluoro-4-methylphenyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is DMEACGHUYMNMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-11(2)9-19-10-15-7-13(4)20-17(21-15)14-6-5-12(3)16(18)8-14/h5-8,11,19H,9-10H2,1-4H3.
What are the key properties of N-[[2-(3-fluoro-4-methylphenyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(3-fluoro-4-methylphenyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluoro-4-methylphenyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62746589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).