2-propan-2-yl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one

C15H25N3O2 — CID 137009417

IUPAC2-propan-2-yl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCCCOC1CCCN(c2cc(=O)[nH]c(C(C)C)n2)C1
InChIInChI=1S/C15H25N3O2/c1-4-8-20-12-6-5-7-18(10-12)13-9-14(19)17-15(16-13)11(2)3/h9,11-12H,4-8,10H2,1-3H3,(H,16,17,19)
InChIKeyVAZQPGIYNRMEEJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.29
Rot. Bonds5

About 2-propan-2-yl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one

2-propan-2-yl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 137009417) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-propan-2-yl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-propan-2-yl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID137009417
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-propan-2-yl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCCCOC1CCCN(c2cc(=O)[nH]c(C(C)C)n2)C1
InChIInChI=1S/C15H25N3O2/c1-4-8-20-12-6-5-7-18(10-12)13-9-14(19)17-15(16-13)11(2)3/h9,11-12H,4-8,10H2,1-3H3,(H,16,17,19)
InChIKeyVAZQPGIYNRMEEJ-UHFFFAOYSA-N
XLogP2.29
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-propan-2-yl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one (CID 137009417) is 2-propan-2-yl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-propan-2-yl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-propan-2-yl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one is CCCOC1CCCN(c2cc(=O)[nH]c(C(C)C)n2)C1.
What is the InChIKey of 2-propan-2-yl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is VAZQPGIYNRMEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-8-20-12-6-5-7-18(10-12)13-9-14(19)17-15(16-13)11(2)3/h9,11-12H,4-8,10H2,1-3H3,(H,16,17,19).
What are the key properties of 2-propan-2-yl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one?
2-propan-2-yl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 279.38 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137009417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).