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

C10H14N4O3 — CID 137269671

IUPAC5-amino-4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one
SMILESNc1c(N2CCC3(C2)OCCO3)nc[nH]c1=O
InChIInChI=1S/C10H14N4O3/c11-7-8(12-6-13-9(7)15)14-2-1-10(5-14)16-3-4-17-10/h6H,1-5,11H2,(H,12,13,15)
InChIKeyWCCSYNCVTYSPTM-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.69
Rot. Bonds1

About 5-amino-4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one

5-amino-4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one (PubChem CID 137269671) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 5-amino-4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one
PubChem CID137269671
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name5-amino-4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one
SMILESNc1c(N2CCC3(C2)OCCO3)nc[nH]c1=O
InChIInChI=1S/C10H14N4O3/c11-7-8(12-6-13-9(7)15)14-2-1-10(5-14)16-3-4-17-10/h6H,1-5,11H2,(H,12,13,15)
InChIKeyWCCSYNCVTYSPTM-UHFFFAOYSA-N
XLogP-0.69
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one (CID 137269671) is 5-amino-4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one is Nc1c(N2CCC3(C2)OCCO3)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one?
The InChIKey is WCCSYNCVTYSPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c11-7-8(12-6-13-9(7)15)14-2-1-10(5-14)16-3-4-17-10/h6H,1-5,11H2,(H,12,13,15).
What are the key properties of 5-amino-4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one?
5-amino-4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one has a molecular weight of 238.25 g/mol, XLogP of -0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137269671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).