4-[6-[1-(2-fluoro-6-methoxyphenyl)ethylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one

C18H22FN5O2 — CID 133464722

IUPAC4-[6-[1-(2-fluoro-6-methoxyphenyl)ethylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one
SMILESCOc1cccc(F)c1C(C)Nc1cc(N2CCN(C)C(=O)C2)ncn1
InChIInChI=1S/C18H22FN5O2/c1-12(18-13(19)5-4-6-14(18)26-3)22-15-9-16(21-11-20-15)24-8-7-23(2)17(25)10-24/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,20,21,22)
InChIKeyLTDIEEYELAHSFA-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.08
Rot. Bonds5

About 4-[6-[1-(2-fluoro-6-methoxyphenyl)ethylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one

4-[6-[1-(2-fluoro-6-methoxyphenyl)ethylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one (PubChem CID 133464722) has the molecular formula C18H22FN5O2 and a molecular weight of 359.41 g/mol. Its IUPAC name is 4-[6-[1-(2-fluoro-6-methoxyphenyl)ethylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[6-[1-(2-fluoro-6-methoxyphenyl)ethylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one
PubChem CID133464722
Molecular FormulaC18H22FN5O2
Molecular Weight359.41 g/mol
Exact Mass359.18
IUPAC Name4-[6-[1-(2-fluoro-6-methoxyphenyl)ethylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one
SMILESCOc1cccc(F)c1C(C)Nc1cc(N2CCN(C)C(=O)C2)ncn1
InChIInChI=1S/C18H22FN5O2/c1-12(18-13(19)5-4-6-14(18)26-3)22-15-9-16(21-11-20-15)24-8-7-23(2)17(25)10-24/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,20,21,22)
InChIKeyLTDIEEYELAHSFA-UHFFFAOYSA-N
XLogP2.08
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-[[(2R)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 90453878
4-[6-(1-hydroxypropan-2-ylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464744
4-[6-[[1-(2,6-difluorophenyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 127922109
(2S)-4-methyl-2-[[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]amino]pentanoic acid
CID 122050080
4-[6-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464287
4-[6-(3-anilinopropylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 100648289
4-[6-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133492142
N-(2,6-difluorophenyl)-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine
CID 112863744
1-methyl-4-[6-[[1-(2-methylpropyl)cyclopropyl]methylamino]pyrimidin-4-yl]piperazin-2-one
CID 133493356
4-[6-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464354
4-(8-methoxyquinolin-2-yl)-1-methylpiperazin-2-one
CID 39736267
4-[6-[(2-butan-2-yloxy-4-methylphenyl)methylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133493370

Frequently Asked Questions

What is the IUPAC name of 4-[6-[1-(2-fluoro-6-methoxyphenyl)ethylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[6-[1-(2-fluoro-6-methoxyphenyl)ethylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one (CID 133464722) is 4-[6-[1-(2-fluoro-6-methoxyphenyl)ethylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[6-[1-(2-fluoro-6-methoxyphenyl)ethylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[6-[1-(2-fluoro-6-methoxyphenyl)ethylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one is COc1cccc(F)c1C(C)Nc1cc(N2CCN(C)C(=O)C2)ncn1.
What is the InChIKey of 4-[6-[1-(2-fluoro-6-methoxyphenyl)ethylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one?
The InChIKey is LTDIEEYELAHSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O2/c1-12(18-13(19)5-4-6-14(18)26-3)22-15-9-16(21-11-20-15)24-8-7-23(2)17(25)10-24/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,20,21,22).
What are the key properties of 4-[6-[1-(2-fluoro-6-methoxyphenyl)ethylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one?
4-[6-[1-(2-fluoro-6-methoxyphenyl)ethylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one has a molecular weight of 359.41 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[1-(2-fluoro-6-methoxyphenyl)ethylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one is sourced from PubChem (CID 133464722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).