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

C10H17N3O3 — CID 114586489

IUPAC4-(2-amino-2-methylbutoxy)-5-methoxy-1H-pyrimidin-6-one
SMILESCCC(C)(N)COc1nc[nH]c(=O)c1OC
InChIInChI=1S/C10H17N3O3/c1-4-10(2,11)5-16-9-7(15-3)8(14)12-6-13-9/h6H,4-5,11H2,1-3H3,(H,12,13,14)
InChIKeyLFOUBESLJUOVQO-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.28
Rot. Bonds5

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

4-(2-amino-2-methylbutoxy)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 114586489) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-(2-amino-2-methylbutoxy)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-amino-2-methylbutoxy)-5-methoxy-1H-pyrimidin-6-one
PubChem CID114586489
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name4-(2-amino-2-methylbutoxy)-5-methoxy-1H-pyrimidin-6-one
SMILESCCC(C)(N)COc1nc[nH]c(=O)c1OC
InChIInChI=1S/C10H17N3O3/c1-4-10(2,11)5-16-9-7(15-3)8(14)12-6-13-9/h6H,4-5,11H2,1-3H3,(H,12,13,14)
InChIKeyLFOUBESLJUOVQO-UHFFFAOYSA-N
XLogP0.28
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.28
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-methylbutoxy)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-amino-2-methylbutoxy)-5-methoxy-1H-pyrimidin-6-one (CID 114586489) is 4-(2-amino-2-methylbutoxy)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-amino-2-methylbutoxy)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-amino-2-methylbutoxy)-5-methoxy-1H-pyrimidin-6-one is CCC(C)(N)COc1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-(2-amino-2-methylbutoxy)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is LFOUBESLJUOVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-4-10(2,11)5-16-9-7(15-3)8(14)12-6-13-9/h6H,4-5,11H2,1-3H3,(H,12,13,14).
What are the key properties of 4-(2-amino-2-methylbutoxy)-5-methoxy-1H-pyrimidin-6-one?
4-(2-amino-2-methylbutoxy)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 227.26 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-methylbutoxy)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114586489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).