5-amino-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one

C11H18N4O2 — CID 136905795

IUPAC5-amino-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCCC1OCCC1CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C11H18N4O2/c1-2-8-7(3-4-17-8)5-13-10-9(12)11(16)15-6-14-10/h6-8H,2-5,12H2,1H3,(H2,13,14,15,16)
InChIKeyUSPNURVLTDZLMO-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.58
Rot. Bonds4

About 5-amino-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one

5-amino-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136905795) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-amino-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136905795
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-amino-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCCC1OCCC1CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C11H18N4O2/c1-2-8-7(3-4-17-8)5-13-10-9(12)11(16)15-6-14-10/h6-8H,2-5,12H2,1H3,(H2,13,14,15,16)
InChIKeyUSPNURVLTDZLMO-UHFFFAOYSA-N
XLogP0.58
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one (CID 136905795) is 5-amino-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one is CCC1OCCC1CNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is USPNURVLTDZLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-2-8-7(3-4-17-8)5-13-10-9(12)11(16)15-6-14-10/h6-8H,2-5,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-amino-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
5-amino-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136905795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).