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

C11H18N4O2 — CID 136827348

IUPAC4-[2-aminoethyl(cyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N(CCN)C2CCC2)nc[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-17-9-10(13-7-14-11(9)16)15(6-5-12)8-3-2-4-8/h7-8H,2-6,12H2,1H3,(H,13,14,16)
InChIKeyMIZRUNYTCUWHGZ-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.10
Rot. Bonds5

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

4-[2-aminoethyl(cyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136827348) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[2-aminoethyl(cyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-aminoethyl(cyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136827348
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-[2-aminoethyl(cyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N(CCN)C2CCC2)nc[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-17-9-10(13-7-14-11(9)16)15(6-5-12)8-3-2-4-8/h7-8H,2-6,12H2,1H3,(H,13,14,16)
InChIKeyMIZRUNYTCUWHGZ-UHFFFAOYSA-N
XLogP0.10
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-aminoethyl(cyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-aminoethyl(cyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 136827348) is 4-[2-aminoethyl(cyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-aminoethyl(cyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-aminoethyl(cyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one is COc1c(N(CCN)C2CCC2)nc[nH]c1=O.
What is the InChIKey of 4-[2-aminoethyl(cyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is MIZRUNYTCUWHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-17-9-10(13-7-14-11(9)16)15(6-5-12)8-3-2-4-8/h7-8H,2-6,12H2,1H3,(H,13,14,16).
What are the key properties of 4-[2-aminoethyl(cyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[2-aminoethyl(cyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-aminoethyl(cyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136827348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).