4-[cyclobutyl(2-hydroxyethyl)amino]-5-methoxy-1H-pyrimidin-6-one

C11H17N3O3 — CID 136827312

IUPAC4-[cyclobutyl(2-hydroxyethyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N(CCO)C2CCC2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-17-9-10(12-7-13-11(9)16)14(5-6-15)8-3-2-4-8/h7-8,15H,2-6H2,1H3,(H,12,13,16)
InChIKeyBFHPIDSPRXVTIN-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.13
Rot. Bonds5

About 4-[cyclobutyl(2-hydroxyethyl)amino]-5-methoxy-1H-pyrimidin-6-one

4-[cyclobutyl(2-hydroxyethyl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136827312) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-[cyclobutyl(2-hydroxyethyl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[cyclobutyl(2-hydroxyethyl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136827312
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-[cyclobutyl(2-hydroxyethyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N(CCO)C2CCC2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-17-9-10(12-7-13-11(9)16)14(5-6-15)8-3-2-4-8/h7-8,15H,2-6H2,1H3,(H,12,13,16)
InChIKeyBFHPIDSPRXVTIN-UHFFFAOYSA-N
XLogP0.13
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutyl(2-hydroxyethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[cyclobutyl(2-hydroxyethyl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 136827312) is 4-[cyclobutyl(2-hydroxyethyl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[cyclobutyl(2-hydroxyethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[cyclobutyl(2-hydroxyethyl)amino]-5-methoxy-1H-pyrimidin-6-one is COc1c(N(CCO)C2CCC2)nc[nH]c1=O.
What is the InChIKey of 4-[cyclobutyl(2-hydroxyethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is BFHPIDSPRXVTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-17-9-10(12-7-13-11(9)16)14(5-6-15)8-3-2-4-8/h7-8,15H,2-6H2,1H3,(H,12,13,16).
What are the key properties of 4-[cyclobutyl(2-hydroxyethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[cyclobutyl(2-hydroxyethyl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 239.27 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutyl(2-hydroxyethyl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136827312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).