5-(3-amino-7-oxa-1-azaspiro[4.4]nonane-1-carbonyl)-2-(oxan-4-yl)-1H-pyrimidin-6-one

C17H24N4O4 — CID 155962154

IUPAC5-(3-amino-7-oxa-1-azaspiro[4.4]nonane-1-carbonyl)-2-(oxan-4-yl)-1H-pyrimidin-6-one
SMILESNC1CN(C(=O)c2cnc(C3CCOCC3)[nH]c2=O)C2(CCOC2)C1
InChIInChI=1S/C17H24N4O4/c18-12-7-17(3-6-25-10-17)21(9-12)16(23)13-8-19-14(20-15(13)22)11-1-4-24-5-2-11/h8,11-12H,1-7,9-10,18H2,(H,19,20,22)
InChIKeyYMBASOQXYFWJAM-UHFFFAOYSA-N
MW348.40 g/mol
LogP-0.00
Rot. Bonds2

About 5-(3-amino-7-oxa-1-azaspiro[4.4]nonane-1-carbonyl)-2-(oxan-4-yl)-1H-pyrimidin-6-one

5-(3-amino-7-oxa-1-azaspiro[4.4]nonane-1-carbonyl)-2-(oxan-4-yl)-1H-pyrimidin-6-one (PubChem CID 155962154) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 5-(3-amino-7-oxa-1-azaspiro[4.4]nonane-1-carbonyl)-2-(oxan-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3-amino-7-oxa-1-azaspiro[4.4]nonane-1-carbonyl)-2-(oxan-4-yl)-1H-pyrimidin-6-one
PubChem CID155962154
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name5-(3-amino-7-oxa-1-azaspiro[4.4]nonane-1-carbonyl)-2-(oxan-4-yl)-1H-pyrimidin-6-one
SMILESNC1CN(C(=O)c2cnc(C3CCOCC3)[nH]c2=O)C2(CCOC2)C1
InChIInChI=1S/C17H24N4O4/c18-12-7-17(3-6-25-10-17)21(9-12)16(23)13-8-19-14(20-15(13)22)11-1-4-24-5-2-11/h8,11-12H,1-7,9-10,18H2,(H,19,20,22)
InChIKeyYMBASOQXYFWJAM-UHFFFAOYSA-N
XLogP-0.00
TPSA110.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-7-oxa-1-azaspiro[4.4]nonane-1-carbonyl)-2-(oxan-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(3-amino-7-oxa-1-azaspiro[4.4]nonane-1-carbonyl)-2-(oxan-4-yl)-1H-pyrimidin-6-one (CID 155962154) is 5-(3-amino-7-oxa-1-azaspiro[4.4]nonane-1-carbonyl)-2-(oxan-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3-amino-7-oxa-1-azaspiro[4.4]nonane-1-carbonyl)-2-(oxan-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3-amino-7-oxa-1-azaspiro[4.4]nonane-1-carbonyl)-2-(oxan-4-yl)-1H-pyrimidin-6-one is NC1CN(C(=O)c2cnc(C3CCOCC3)[nH]c2=O)C2(CCOC2)C1.
What is the InChIKey of 5-(3-amino-7-oxa-1-azaspiro[4.4]nonane-1-carbonyl)-2-(oxan-4-yl)-1H-pyrimidin-6-one?
The InChIKey is YMBASOQXYFWJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c18-12-7-17(3-6-25-10-17)21(9-12)16(23)13-8-19-14(20-15(13)22)11-1-4-24-5-2-11/h8,11-12H,1-7,9-10,18H2,(H,19,20,22).
What are the key properties of 5-(3-amino-7-oxa-1-azaspiro[4.4]nonane-1-carbonyl)-2-(oxan-4-yl)-1H-pyrimidin-6-one?
5-(3-amino-7-oxa-1-azaspiro[4.4]nonane-1-carbonyl)-2-(oxan-4-yl)-1H-pyrimidin-6-one has a molecular weight of 348.40 g/mol, XLogP of -0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-7-oxa-1-azaspiro[4.4]nonane-1-carbonyl)-2-(oxan-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 155962154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).