6-cyclopropyl-3-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one

C17H20FN5O — CID 126941634

IUPAC6-cyclopropyl-3-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=c1cc(C2CC2)ncn1CC1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C17H20FN5O/c18-14-8-19-17(20-9-14)22-5-3-12(4-6-22)10-23-11-21-15(7-16(23)24)13-1-2-13/h7-9,11-13H,1-6,10H2
InChIKeyUCLIYCVCVFTGEI-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.97
Rot. Bonds4

About 6-cyclopropyl-3-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one

6-cyclopropyl-3-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126941634) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is 6-cyclopropyl-3-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-cyclopropyl-3-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126941634
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC Name6-cyclopropyl-3-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=c1cc(C2CC2)ncn1CC1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C17H20FN5O/c18-14-8-19-17(20-9-14)22-5-3-12(4-6-22)10-23-11-21-15(7-16(23)24)13-1-2-13/h7-9,11-13H,1-6,10H2
InChIKeyUCLIYCVCVFTGEI-UHFFFAOYSA-N
XLogP1.97
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-cyclopropyl-3-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126941634) is 6-cyclopropyl-3-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-cyclopropyl-3-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-cyclopropyl-3-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one is O=c1cc(C2CC2)ncn1CC1CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of 6-cyclopropyl-3-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is UCLIYCVCVFTGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O/c18-14-8-19-17(20-9-14)22-5-3-12(4-6-22)10-23-11-21-15(7-16(23)24)13-1-2-13/h7-9,11-13H,1-6,10H2.
What are the key properties of 6-cyclopropyl-3-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
6-cyclopropyl-3-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 329.38 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126941634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).