[6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone

C18H21FN4O2 — CID 109365533

IUPAC[6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1nc(NCCc2ccccc2F)cc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C18H21FN4O2/c1-13-21-16(18(24)23-8-10-25-11-9-23)12-17(22-13)20-7-6-14-4-2-3-5-15(14)19/h2-5,12H,6-11H2,1H3,(H,20,21,22)
InChIKeyPUCSNIWUJLWXOL-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.05
Rot. Bonds5

About [6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone

[6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 109365533) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is [6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
PubChem CID109365533
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name[6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1nc(NCCc2ccccc2F)cc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C18H21FN4O2/c1-13-21-16(18(24)23-8-10-25-11-9-23)12-17(22-13)20-7-6-14-4-2-3-5-15(14)19/h2-5,12H,6-11H2,1H3,(H,20,21,22)
InChIKeyPUCSNIWUJLWXOL-UHFFFAOYSA-N
XLogP2.05
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109324383
6-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112870386
[6-(butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 75538795
N-cyclopropyl-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109361002
N-(2,6-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109371788
6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109371777
(4-ethylpiperazin-1-yl)-[6-[(2-fluorophenyl)methylamino]-2-methylpyrimidin-4-yl]methanone
CID 109367307
[5-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 109228397
[6-(3-ethoxypropylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 75538800
1-[4-[6-[2-(4-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109367835
[2-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 75538802
N-(3,4-difluorophenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109371822

Frequently Asked Questions

What is the IUPAC name of [6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone (CID 109365533) is [6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone is Cc1nc(NCCc2ccccc2F)cc(C(=O)N2CCOCC2)n1.
What is the InChIKey of [6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is PUCSNIWUJLWXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-13-21-16(18(24)23-8-10-25-11-9-23)12-17(22-13)20-7-6-14-4-2-3-5-15(14)19/h2-5,12H,6-11H2,1H3,(H,20,21,22).
What are the key properties of [6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone?
[6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 344.39 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109365533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).