2-amino-3-butyl-6-morpholin-4-ylpyrimidin-4-one

C12H20N4O2 — CID 12502636

IUPAC2-amino-3-butyl-6-morpholin-4-ylpyrimidin-4-one
SMILESCCCCn1c(N)nc(N2CCOCC2)cc1=O
InChIInChI=1S/C12H20N4O2/c1-2-3-4-16-11(17)9-10(14-12(16)13)15-5-7-18-8-6-15/h9H,2-8H2,1H3,(H2,13,14)
InChIKeyGHVHSIKNCSIKBA-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.46
Rot. Bonds4

About 2-amino-3-butyl-6-morpholin-4-ylpyrimidin-4-one

2-amino-3-butyl-6-morpholin-4-ylpyrimidin-4-one (PubChem CID 12502636) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-amino-3-butyl-6-morpholin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3-butyl-6-morpholin-4-ylpyrimidin-4-one
PubChem CID12502636
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-amino-3-butyl-6-morpholin-4-ylpyrimidin-4-one
SMILESCCCCn1c(N)nc(N2CCOCC2)cc1=O
InChIInChI=1S/C12H20N4O2/c1-2-3-4-16-11(17)9-10(14-12(16)13)15-5-7-18-8-6-15/h9H,2-8H2,1H3,(H2,13,14)
InChIKeyGHVHSIKNCSIKBA-UHFFFAOYSA-N
XLogP0.46
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-butyl-6-morpholin-4-ylpyrimidin-4-one?
The IUPAC name of 2-amino-3-butyl-6-morpholin-4-ylpyrimidin-4-one (CID 12502636) is 2-amino-3-butyl-6-morpholin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-amino-3-butyl-6-morpholin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-amino-3-butyl-6-morpholin-4-ylpyrimidin-4-one is CCCCn1c(N)nc(N2CCOCC2)cc1=O.
What is the InChIKey of 2-amino-3-butyl-6-morpholin-4-ylpyrimidin-4-one?
The InChIKey is GHVHSIKNCSIKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-2-3-4-16-11(17)9-10(14-12(16)13)15-5-7-18-8-6-15/h9H,2-8H2,1H3,(H2,13,14).
What are the key properties of 2-amino-3-butyl-6-morpholin-4-ylpyrimidin-4-one?
2-amino-3-butyl-6-morpholin-4-ylpyrimidin-4-one has a molecular weight of 252.32 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-butyl-6-morpholin-4-ylpyrimidin-4-one is sourced from PubChem (CID 12502636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).