4-butyl-2-morpholin-4-yl-1H-pyrimidin-6-one

C12H19N3O2 — CID 135990496

IUPAC4-butyl-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESCCCCc1cc(=O)[nH]c(N2CCOCC2)n1
InChIInChI=1S/C12H19N3O2/c1-2-3-4-10-9-11(16)14-12(13-10)15-5-7-17-8-6-15/h9H,2-8H2,1H3,(H,13,14,16)
InChIKeyOGAOBCAJSBXNNS-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.95
Rot. Bonds4

About 4-butyl-2-morpholin-4-yl-1H-pyrimidin-6-one

4-butyl-2-morpholin-4-yl-1H-pyrimidin-6-one (PubChem CID 135990496) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-butyl-2-morpholin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-butyl-2-morpholin-4-yl-1H-pyrimidin-6-one
PubChem CID135990496
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-butyl-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESCCCCc1cc(=O)[nH]c(N2CCOCC2)n1
InChIInChI=1S/C12H19N3O2/c1-2-3-4-10-9-11(16)14-12(13-10)15-5-7-17-8-6-15/h9H,2-8H2,1H3,(H,13,14,16)
InChIKeyOGAOBCAJSBXNNS-UHFFFAOYSA-N
XLogP0.95
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-morpholin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-butyl-2-morpholin-4-yl-1H-pyrimidin-6-one (CID 135990496) is 4-butyl-2-morpholin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-butyl-2-morpholin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-butyl-2-morpholin-4-yl-1H-pyrimidin-6-one is CCCCc1cc(=O)[nH]c(N2CCOCC2)n1.
What is the InChIKey of 4-butyl-2-morpholin-4-yl-1H-pyrimidin-6-one?
The InChIKey is OGAOBCAJSBXNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-3-4-10-9-11(16)14-12(13-10)15-5-7-17-8-6-15/h9H,2-8H2,1H3,(H,13,14,16).
What are the key properties of 4-butyl-2-morpholin-4-yl-1H-pyrimidin-6-one?
4-butyl-2-morpholin-4-yl-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-morpholin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135990496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).