4-[6-[[1-(2,6-difluorophenyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one

C19H22F2N6O — CID 127922109

IUPAC4-[6-[[1-(2,6-difluorophenyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
SMILESCN1CCN(c2cc(NC3CCN(c4c(F)cccc4F)C3)ncn2)CC1=O
InChIInChI=1S/C19H22F2N6O/c1-25-7-8-26(11-18(25)28)17-9-16(22-12-23-17)24-13-5-6-27(10-13)19-14(20)3-2-4-15(19)21/h2-4,9,12-13H,5-8,10-11H2,1H3,(H,22,23,24)
InChIKeyRNLGPKMPOWXMNC-UHFFFAOYSA-N
MW388.42 g/mol
LogP1.72
Rot. Bonds4

About 4-[6-[[1-(2,6-difluorophenyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one

4-[6-[[1-(2,6-difluorophenyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one (PubChem CID 127922109) has the molecular formula C19H22F2N6O and a molecular weight of 388.42 g/mol. Its IUPAC name is 4-[6-[[1-(2,6-difluorophenyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[6-[[1-(2,6-difluorophenyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
PubChem CID127922109
Molecular FormulaC19H22F2N6O
Molecular Weight388.42 g/mol
Exact Mass388.18
IUPAC Name4-[6-[[1-(2,6-difluorophenyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
SMILESCN1CCN(c2cc(NC3CCN(c4c(F)cccc4F)C3)ncn2)CC1=O
InChIInChI=1S/C19H22F2N6O/c1-25-7-8-26(11-18(25)28)17-9-16(22-12-23-17)24-13-5-6-27(10-13)19-14(20)3-2-4-15(19)21/h2-4,9,12-13H,5-8,10-11H2,1H3,(H,22,23,24)
InChIKeyRNLGPKMPOWXMNC-UHFFFAOYSA-N
XLogP1.72
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[6-[[1-(2,6-difluorophenyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one with MolForge

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Related Compounds

1-methyl-4-[6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]piperazin-2-one
CID 133464234
4-[6-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464354
4-[6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133492339
1-methyl-4-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]piperazin-2-one
CID 129398746
4-[6-[1-(2-fluoro-6-methoxyphenyl)ethylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464722
2-[3-[[6-(dimethylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]-3-fluorobenzonitrile
CID 171996840
4-[6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464424
4-[6-(3-anilinopropylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 100648289
4-[6-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464287
4-[6-(1-hydroxypropan-2-ylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464744
4-[6-(3-indazol-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 166223108
4-(6-aminopyrimidin-4-yl)-1-methylpiperazin-2-one
CID 80843839

Frequently Asked Questions

What is the IUPAC name of 4-[6-[[1-(2,6-difluorophenyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[6-[[1-(2,6-difluorophenyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one (CID 127922109) is 4-[6-[[1-(2,6-difluorophenyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[6-[[1-(2,6-difluorophenyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[6-[[1-(2,6-difluorophenyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one is CN1CCN(c2cc(NC3CCN(c4c(F)cccc4F)C3)ncn2)CC1=O.
What is the InChIKey of 4-[6-[[1-(2,6-difluorophenyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one?
The InChIKey is RNLGPKMPOWXMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N6O/c1-25-7-8-26(11-18(25)28)17-9-16(22-12-23-17)24-13-5-6-27(10-13)19-14(20)3-2-4-15(19)21/h2-4,9,12-13H,5-8,10-11H2,1H3,(H,22,23,24).
What are the key properties of 4-[6-[[1-(2,6-difluorophenyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one?
4-[6-[[1-(2,6-difluorophenyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one has a molecular weight of 388.42 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[[1-(2,6-difluorophenyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one is sourced from PubChem (CID 127922109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).