5-amino-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one

C11H17N3O3 — CID 114207008

IUPAC5-amino-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one
SMILESCCOC1(c2ncc(N)c(=O)[nH]2)CCOCC1
InChIInChI=1S/C11H17N3O3/c1-2-17-11(3-5-16-6-4-11)10-13-7-8(12)9(15)14-10/h7H,2-6,12H2,1H3,(H,13,14,15)
InChIKeyIHIMWHOPMPXSNY-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.39
Rot. Bonds3

About 5-amino-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one

5-amino-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one (PubChem CID 114207008) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-amino-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one
PubChem CID114207008
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name5-amino-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one
SMILESCCOC1(c2ncc(N)c(=O)[nH]2)CCOCC1
InChIInChI=1S/C11H17N3O3/c1-2-17-11(3-5-16-6-4-11)10-13-7-8(12)9(15)14-10/h7H,2-6,12H2,1H3,(H,13,14,15)
InChIKeyIHIMWHOPMPXSNY-UHFFFAOYSA-N
XLogP0.39
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 113563476
5-amino-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one
CID 114207018
2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 116744922
2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 116744926
5-bromo-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 116745487
5-bromo-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 116745490
5-iodo-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 116745503
2-(4-ethoxyoxan-4-yl)-5-iodo-1H-pyrimidin-6-one
CID 116745506
5-(aminomethyl)-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 116782621
5-amino-2-(2-ethoxypropan-2-yl)-1H-pyrimidin-6-one
CID 133620687
5-amino-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 133632474
5-amino-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 133679683

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one (CID 114207008) is 5-amino-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one is CCOC1(c2ncc(N)c(=O)[nH]2)CCOCC1.
What is the InChIKey of 5-amino-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one?
The InChIKey is IHIMWHOPMPXSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-2-17-11(3-5-16-6-4-11)10-13-7-8(12)9(15)14-10/h7H,2-6,12H2,1H3,(H,13,14,15).
What are the key properties of 5-amino-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one?
5-amino-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one has a molecular weight of 239.27 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114207008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).