4-[[4-[[(6-cyclopropyl-5-fluoropyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]methyl]-1-methylpyridin-2-one

C21H28FN5O — CID 163350374

IUPAC4-[[4-[[(6-cyclopropyl-5-fluoropyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCN(CC1CCN(Cc2ccn(C)c(=O)c2)CC1)c1ncnc(C2CC2)c1F
InChIInChI=1S/C21H28FN5O/c1-25-8-5-16(11-18(25)28)13-27-9-6-15(7-10-27)12-26(2)21-19(22)20(17-3-4-17)23-14-24-21/h5,8,11,14-15,17H,3-4,6-7,9-10,12-13H2,1-2H3
InChIKeyWORBWWNKSPVUAY-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.54
Rot. Bonds6

About 4-[[4-[[(6-cyclopropyl-5-fluoropyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]methyl]-1-methylpyridin-2-one

4-[[4-[[(6-cyclopropyl-5-fluoropyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]methyl]-1-methylpyridin-2-one (PubChem CID 163350374) has the molecular formula C21H28FN5O and a molecular weight of 385.49 g/mol. Its IUPAC name is 4-[[4-[[(6-cyclopropyl-5-fluoropyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]methyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[[4-[[(6-cyclopropyl-5-fluoropyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]methyl]-1-methylpyridin-2-one
PubChem CID163350374
Molecular FormulaC21H28FN5O
Molecular Weight385.49 g/mol
Exact Mass385.23
IUPAC Name4-[[4-[[(6-cyclopropyl-5-fluoropyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCN(CC1CCN(Cc2ccn(C)c(=O)c2)CC1)c1ncnc(C2CC2)c1F
InChIInChI=1S/C21H28FN5O/c1-25-8-5-16(11-18(25)28)13-27-9-6-15(7-10-27)12-26(2)21-19(22)20(17-3-4-17)23-14-24-21/h5,8,11,14-15,17H,3-4,6-7,9-10,12-13H2,1-2H3
InChIKeyWORBWWNKSPVUAY-UHFFFAOYSA-N
XLogP2.54
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[(6-cyclopropyl-5-fluoropyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]methyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[[4-[[(6-cyclopropyl-5-fluoropyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]methyl]-1-methylpyridin-2-one (CID 163350374) is 4-[[4-[[(6-cyclopropyl-5-fluoropyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]methyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[[4-[[(6-cyclopropyl-5-fluoropyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]methyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[[4-[[(6-cyclopropyl-5-fluoropyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]methyl]-1-methylpyridin-2-one is CN(CC1CCN(Cc2ccn(C)c(=O)c2)CC1)c1ncnc(C2CC2)c1F.
What is the InChIKey of 4-[[4-[[(6-cyclopropyl-5-fluoropyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]methyl]-1-methylpyridin-2-one?
The InChIKey is WORBWWNKSPVUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN5O/c1-25-8-5-16(11-18(25)28)13-27-9-6-15(7-10-27)12-26(2)21-19(22)20(17-3-4-17)23-14-24-21/h5,8,11,14-15,17H,3-4,6-7,9-10,12-13H2,1-2H3.
What are the key properties of 4-[[4-[[(6-cyclopropyl-5-fluoropyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]methyl]-1-methylpyridin-2-one?
4-[[4-[[(6-cyclopropyl-5-fluoropyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]methyl]-1-methylpyridin-2-one has a molecular weight of 385.49 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[(6-cyclopropyl-5-fluoropyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 163350374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).