4-(oxan-4-yl)-2-(6-pyrrolidin-1-yl-2-pyridinyl)-1H-pyrimidin-6-one

C18H22N4O2 — CID 167759567

IUPAC4-(oxan-4-yl)-2-(6-pyrrolidin-1-yl-2-pyridinyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C2CCOCC2)nc(-c2cccc(N3CCCC3)n2)[nH]1
InChIInChI=1S/C18H22N4O2/c23-17-12-15(13-6-10-24-11-7-13)20-18(21-17)14-4-3-5-16(19-14)22-8-1-2-9-22/h3-5,12-13H,1-2,6-11H2,(H,20,21,23)
InChIKeyXCLXSJAZVYFQJT-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.33
Rot. Bonds3

About 4-(oxan-4-yl)-2-(6-pyrrolidin-1-yl-2-pyridinyl)-1H-pyrimidin-6-one

4-(oxan-4-yl)-2-(6-pyrrolidin-1-yl-2-pyridinyl)-1H-pyrimidin-6-one (PubChem CID 167759567) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-(oxan-4-yl)-2-(6-pyrrolidin-1-yl-2-pyridinyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(oxan-4-yl)-2-(6-pyrrolidin-1-yl-2-pyridinyl)-1H-pyrimidin-6-one
PubChem CID167759567
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name4-(oxan-4-yl)-2-(6-pyrrolidin-1-yl-2-pyridinyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C2CCOCC2)nc(-c2cccc(N3CCCC3)n2)[nH]1
InChIInChI=1S/C18H22N4O2/c23-17-12-15(13-6-10-24-11-7-13)20-18(21-17)14-4-3-5-16(19-14)22-8-1-2-9-22/h3-5,12-13H,1-2,6-11H2,(H,20,21,23)
InChIKeyXCLXSJAZVYFQJT-UHFFFAOYSA-N
XLogP2.33
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yl)-2-(6-pyrrolidin-1-yl-2-pyridinyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(oxan-4-yl)-2-(6-pyrrolidin-1-yl-2-pyridinyl)-1H-pyrimidin-6-one (CID 167759567) is 4-(oxan-4-yl)-2-(6-pyrrolidin-1-yl-2-pyridinyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(oxan-4-yl)-2-(6-pyrrolidin-1-yl-2-pyridinyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(oxan-4-yl)-2-(6-pyrrolidin-1-yl-2-pyridinyl)-1H-pyrimidin-6-one is O=c1cc(C2CCOCC2)nc(-c2cccc(N3CCCC3)n2)[nH]1.
What is the InChIKey of 4-(oxan-4-yl)-2-(6-pyrrolidin-1-yl-2-pyridinyl)-1H-pyrimidin-6-one?
The InChIKey is XCLXSJAZVYFQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-17-12-15(13-6-10-24-11-7-13)20-18(21-17)14-4-3-5-16(19-14)22-8-1-2-9-22/h3-5,12-13H,1-2,6-11H2,(H,20,21,23).
What are the key properties of 4-(oxan-4-yl)-2-(6-pyrrolidin-1-yl-2-pyridinyl)-1H-pyrimidin-6-one?
4-(oxan-4-yl)-2-(6-pyrrolidin-1-yl-2-pyridinyl)-1H-pyrimidin-6-one has a molecular weight of 326.40 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yl)-2-(6-pyrrolidin-1-yl-2-pyridinyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 167759567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).