4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one

C10H13N3O3 — CID 137263252

IUPAC4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCC3(C2)OCCO3)nc[nH]1
InChIInChI=1S/C10H13N3O3/c14-9-5-8(11-7-12-9)13-2-1-10(6-13)15-3-4-16-10/h5,7H,1-4,6H2,(H,11,12,14)
InChIKeyXDOFTLSJWRQPIP-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.28
Rot. Bonds1

About 4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one

4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one (PubChem CID 137263252) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one
PubChem CID137263252
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCC3(C2)OCCO3)nc[nH]1
InChIInChI=1S/C10H13N3O3/c14-9-5-8(11-7-12-9)13-2-1-10(6-13)15-3-4-16-10/h5,7H,1-4,6H2,(H,11,12,14)
InChIKeyXDOFTLSJWRQPIP-UHFFFAOYSA-N
XLogP-0.28
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one (CID 137263252) is 4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one is O=c1cc(N2CCC3(C2)OCCO3)nc[nH]1.
What is the InChIKey of 4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one?
The InChIKey is XDOFTLSJWRQPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-9-5-8(11-7-12-9)13-2-1-10(6-13)15-3-4-16-10/h5,7H,1-4,6H2,(H,11,12,14).
What are the key properties of 4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one?
4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one has a molecular weight of 223.23 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137263252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).