N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-4-methoxypyrimidin-2-amine

C17H15FN4O — CID 133415900

IUPACN-[(3-fluorophenyl)-pyridin-2-ylmethyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NC(c2cccc(F)c2)c2ccccn2)n1
InChIInChI=1S/C17H15FN4O/c1-23-15-8-10-20-17(21-15)22-16(14-7-2-3-9-19-14)12-5-4-6-13(18)11-12/h2-11,16H,1H3,(H,20,21,22)
InChIKeyZMTCYTICFXRGNL-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.22
Rot. Bonds5

About N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-4-methoxypyrimidin-2-amine

N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-4-methoxypyrimidin-2-amine (PubChem CID 133415900) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-pyridin-2-ylmethyl]-4-methoxypyrimidin-2-amine
PubChem CID133415900
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC NameN-[(3-fluorophenyl)-pyridin-2-ylmethyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NC(c2cccc(F)c2)c2ccccn2)n1
InChIInChI=1S/C17H15FN4O/c1-23-15-8-10-20-17(21-15)22-16(14-7-2-3-9-19-14)12-5-4-6-13(18)11-12/h2-11,16H,1H3,(H,20,21,22)
InChIKeyZMTCYTICFXRGNL-UHFFFAOYSA-N
XLogP3.22
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenoxy)-N-[(3-fluorophenyl)-pyridin-2-ylmethyl]pyrimidin-2-amine
CID 133415948
[(3-fluorophenyl)-pyridin-2-ylmethyl] 6-methoxypyridine-2-carboxylate
CID 71859545
4-methoxy-N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine
CID 30160578
2-[(4-methoxypyrimidin-2-yl)amino]-2-phenylethanol
CID 112689970
(1R)-1-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 81367216
1-(3-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
CID 81402285
N-[bis(3-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine
CID 133356956
N-[cyclobutyl(phenyl)methyl]-4-methoxypyrimidin-2-amine
CID 133286329
4-methoxy-N-[(1S)-1-naphthalen-1-ylethyl]pyrimidin-2-amine
CID 26006023
4-fluoro-2-methyl-N-[phenyl(pyridin-2-yl)methyl]aniline
CID 43825795
4-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyrimidin-2-amine
CID 26436569
1-(3-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 60818375

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-4-methoxypyrimidin-2-amine (CID 133415900) is N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-4-methoxypyrimidin-2-amine is COc1ccnc(NC(c2cccc(F)c2)c2ccccn2)n1.
What is the InChIKey of N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-4-methoxypyrimidin-2-amine?
The InChIKey is ZMTCYTICFXRGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-23-15-8-10-20-17(21-15)22-16(14-7-2-3-9-19-14)12-5-4-6-13(18)11-12/h2-11,16H,1H3,(H,20,21,22).
What are the key properties of N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-4-methoxypyrimidin-2-amine?
N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-4-methoxypyrimidin-2-amine has a molecular weight of 310.33 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 133415900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).