4-(2-amino-2-ethylbutoxy)-5-methoxy-1H-pyrimidin-6-one

C11H19N3O3 — CID 114586480

IUPAC4-(2-amino-2-ethylbutoxy)-5-methoxy-1H-pyrimidin-6-one
SMILESCCC(N)(CC)COc1nc[nH]c(=O)c1OC
InChIInChI=1S/C11H19N3O3/c1-4-11(12,5-2)6-17-10-8(16-3)9(15)13-7-14-10/h7H,4-6,12H2,1-3H3,(H,13,14,15)
InChIKeyYUDJYMFKJACLAL-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.67
Rot. Bonds6

About 4-(2-amino-2-ethylbutoxy)-5-methoxy-1H-pyrimidin-6-one

4-(2-amino-2-ethylbutoxy)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 114586480) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-(2-amino-2-ethylbutoxy)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-amino-2-ethylbutoxy)-5-methoxy-1H-pyrimidin-6-one
PubChem CID114586480
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name4-(2-amino-2-ethylbutoxy)-5-methoxy-1H-pyrimidin-6-one
SMILESCCC(N)(CC)COc1nc[nH]c(=O)c1OC
InChIInChI=1S/C11H19N3O3/c1-4-11(12,5-2)6-17-10-8(16-3)9(15)13-7-14-10/h7H,4-6,12H2,1-3H3,(H,13,14,15)
InChIKeyYUDJYMFKJACLAL-UHFFFAOYSA-N
XLogP0.67
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-ethylbutoxy)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-amino-2-ethylbutoxy)-5-methoxy-1H-pyrimidin-6-one (CID 114586480) is 4-(2-amino-2-ethylbutoxy)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-amino-2-ethylbutoxy)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-amino-2-ethylbutoxy)-5-methoxy-1H-pyrimidin-6-one is CCC(N)(CC)COc1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-(2-amino-2-ethylbutoxy)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is YUDJYMFKJACLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-4-11(12,5-2)6-17-10-8(16-3)9(15)13-7-14-10/h7H,4-6,12H2,1-3H3,(H,13,14,15).
What are the key properties of 4-(2-amino-2-ethylbutoxy)-5-methoxy-1H-pyrimidin-6-one?
4-(2-amino-2-ethylbutoxy)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 241.29 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-ethylbutoxy)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114586480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).