N-[(3-fluoro-4-methoxyphenyl)methyl]-N,4,6-trimethylpyrimidin-2-amine

C15H18FN3O — CID 78836350

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-N,4,6-trimethylpyrimidin-2-amine
SMILESCOc1ccc(CN(C)c2nc(C)cc(C)n2)cc1F
InChIInChI=1S/C15H18FN3O/c1-10-7-11(2)18-15(17-10)19(3)9-12-5-6-14(20-4)13(16)8-12/h5-8H,9H2,1-4H3
InChIKeyXALHTBWBLXABBT-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.88
Rot. Bonds4

About N-[(3-fluoro-4-methoxyphenyl)methyl]-N,4,6-trimethylpyrimidin-2-amine

N-[(3-fluoro-4-methoxyphenyl)methyl]-N,4,6-trimethylpyrimidin-2-amine (PubChem CID 78836350) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-N,4,6-trimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N,4,6-trimethylpyrimidin-2-amine
PubChem CID78836350
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N,4,6-trimethylpyrimidin-2-amine
SMILESCOc1ccc(CN(C)c2nc(C)cc(C)n2)cc1F
InChIInChI=1S/C15H18FN3O/c1-10-7-11(2)18-15(17-10)19(3)9-12-5-6-14(20-4)13(16)8-12/h5-8H,9H2,1-4H3
InChIKeyXALHTBWBLXABBT-UHFFFAOYSA-N
XLogP2.88
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylaniline
CID 43275566
5-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 115148613
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanesulfonamide
CID 60681417
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methoxy-N-methylethanamine
CID 47014867
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-nitroaniline
CID 31920907
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 86978948
N-[(6-chloro-3-pyridinyl)methyl]-N,4,6-trimethylpyrimidin-2-amine
CID 50948120
ethyl 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoacetate
CID 115142014
N'-[(3-fluoro-4-methoxyphenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 54992107
3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115134121
4-(3-fluoro-4-methoxyphenyl)-N,N-dimethylbutan-1-amine
CID 155593714

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N,4,6-trimethylpyrimidin-2-amine?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N,4,6-trimethylpyrimidin-2-amine (CID 78836350) is N-[(3-fluoro-4-methoxyphenyl)methyl]-N,4,6-trimethylpyrimidin-2-amine.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-N,4,6-trimethylpyrimidin-2-amine?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-N,4,6-trimethylpyrimidin-2-amine is COc1ccc(CN(C)c2nc(C)cc(C)n2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-N,4,6-trimethylpyrimidin-2-amine?
The InChIKey is XALHTBWBLXABBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-10-7-11(2)18-15(17-10)19(3)9-12-5-6-14(20-4)13(16)8-12/h5-8H,9H2,1-4H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-N,4,6-trimethylpyrimidin-2-amine?
N-[(3-fluoro-4-methoxyphenyl)methyl]-N,4,6-trimethylpyrimidin-2-amine has a molecular weight of 275.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-N,4,6-trimethylpyrimidin-2-amine is sourced from PubChem (CID 78836350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).