6-cyclopropyl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one

C16H25N3O — CID 126941648

IUPAC6-cyclopropyl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one
SMILESCC(C)N1CCC(Cn2cnc(C3CC3)cc2=O)CC1
InChIInChI=1S/C16H25N3O/c1-12(2)18-7-5-13(6-8-18)10-19-11-17-15(9-16(19)20)14-3-4-14/h9,11-14H,3-8,10H2,1-2H3
InChIKeyRTGSIJJYAZKCND-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.24
Rot. Bonds4

About 6-cyclopropyl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one

6-cyclopropyl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one (PubChem CID 126941648) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 6-cyclopropyl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-cyclopropyl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one
PubChem CID126941648
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name6-cyclopropyl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one
SMILESCC(C)N1CCC(Cn2cnc(C3CC3)cc2=O)CC1
InChIInChI=1S/C16H25N3O/c1-12(2)18-7-5-13(6-8-18)10-19-11-17-15(9-16(19)20)14-3-4-14/h9,11-14H,3-8,10H2,1-2H3
InChIKeyRTGSIJJYAZKCND-UHFFFAOYSA-N
XLogP2.24
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one?
The IUPAC name of 6-cyclopropyl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one (CID 126941648) is 6-cyclopropyl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 6-cyclopropyl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 6-cyclopropyl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one is CC(C)N1CCC(Cn2cnc(C3CC3)cc2=O)CC1.
What is the InChIKey of 6-cyclopropyl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one?
The InChIKey is RTGSIJJYAZKCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(2)18-7-5-13(6-8-18)10-19-11-17-15(9-16(19)20)14-3-4-14/h9,11-14H,3-8,10H2,1-2H3.
What are the key properties of 6-cyclopropyl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one?
6-cyclopropyl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one has a molecular weight of 275.40 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 126941648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).