[2-[1-(2-fluorophenyl)ethyl-methylamino]-4-methylpyrimidin-5-yl]methanol

C15H18FN3O — CID 83184020

IUPAC[2-[1-(2-fluorophenyl)ethyl-methylamino]-4-methylpyrimidin-5-yl]methanol
SMILESCc1nc(N(C)C(C)c2ccccc2F)ncc1CO
InChIInChI=1S/C15H18FN3O/c1-10-12(9-20)8-17-15(18-10)19(3)11(2)13-6-4-5-7-14(13)16/h4-8,11,20H,9H2,1-3H3
InChIKeyXXYKYFVDPODJHD-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.61
Rot. Bonds4

About [2-[1-(2-fluorophenyl)ethyl-methylamino]-4-methylpyrimidin-5-yl]methanol

[2-[1-(2-fluorophenyl)ethyl-methylamino]-4-methylpyrimidin-5-yl]methanol (PubChem CID 83184020) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is [2-[1-(2-fluorophenyl)ethyl-methylamino]-4-methylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-[1-(2-fluorophenyl)ethyl-methylamino]-4-methylpyrimidin-5-yl]methanol
PubChem CID83184020
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name[2-[1-(2-fluorophenyl)ethyl-methylamino]-4-methylpyrimidin-5-yl]methanol
SMILESCc1nc(N(C)C(C)c2ccccc2F)ncc1CO
InChIInChI=1S/C15H18FN3O/c1-10-12(9-20)8-17-15(18-10)19(3)11(2)13-6-4-5-7-14(13)16/h4-8,11,20H,9H2,1-3H3
InChIKeyXXYKYFVDPODJHD-UHFFFAOYSA-N
XLogP2.61
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-fluoro-N-methylanilino)-4-methylpyrimidin-5-yl]methanol
CID 83184712
5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpyrimidin-2-amine
CID 83186254
[6-[1-(2-fluorophenyl)ethyl-methylamino]-3-pyridinyl]methanol
CID 62984853
[2-[1-(2-fluorophenyl)ethyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol
CID 62984852
[4-methyl-2-[methyl-[(2-methylphenyl)methyl]amino]pyrimidin-5-yl]methanol
CID 83184450
[2-[ethyl(propan-2-yl)amino]-4-methylpyrimidin-5-yl]methanol
CID 83184884
[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrimidin-5-yl]methanol
CID 83184457
3-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,6-dimethylpyridin-2-amine
CID 62980701
[2-(diethylamino)-4-methylpyrimidin-5-yl]methanol
CID 83183758
6-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine
CID 55140098
[4-methyl-2-[propan-2-yl(propyl)amino]pyrimidin-5-yl]methanol
CID 83185065
4-chloro-N-[1-(2-fluorophenyl)ethyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 62983717

Frequently Asked Questions

What is the IUPAC name of [2-[1-(2-fluorophenyl)ethyl-methylamino]-4-methylpyrimidin-5-yl]methanol?
The IUPAC name of [2-[1-(2-fluorophenyl)ethyl-methylamino]-4-methylpyrimidin-5-yl]methanol (CID 83184020) is [2-[1-(2-fluorophenyl)ethyl-methylamino]-4-methylpyrimidin-5-yl]methanol.
What is the SMILES notation for [2-[1-(2-fluorophenyl)ethyl-methylamino]-4-methylpyrimidin-5-yl]methanol?
The canonical SMILES for [2-[1-(2-fluorophenyl)ethyl-methylamino]-4-methylpyrimidin-5-yl]methanol is Cc1nc(N(C)C(C)c2ccccc2F)ncc1CO.
What is the InChIKey of [2-[1-(2-fluorophenyl)ethyl-methylamino]-4-methylpyrimidin-5-yl]methanol?
The InChIKey is XXYKYFVDPODJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-10-12(9-20)8-17-15(18-10)19(3)11(2)13-6-4-5-7-14(13)16/h4-8,11,20H,9H2,1-3H3.
What are the key properties of [2-[1-(2-fluorophenyl)ethyl-methylamino]-4-methylpyrimidin-5-yl]methanol?
[2-[1-(2-fluorophenyl)ethyl-methylamino]-4-methylpyrimidin-5-yl]methanol has a molecular weight of 275.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(2-fluorophenyl)ethyl-methylamino]-4-methylpyrimidin-5-yl]methanol is sourced from PubChem (CID 83184020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).