1-(6-aminopyrimidin-4-yl)imidazolidin-4-one

C7H9N5O — CID 155440182

IUPAC1-(6-aminopyrimidin-4-yl)imidazolidin-4-one
SMILESNc1cc(N2CNC(=O)C2)ncn1
InChIInChI=1S/C7H9N5O/c8-5-1-6(10-3-9-5)12-2-7(13)11-4-12/h1,3H,2,4H2,(H,11,13)(H2,8,9,10)
InChIKeyQDSRTCHXSHYUAZ-UHFFFAOYSA-N
MW179.18 g/mol
LogP-1.05
Rot. Bonds1

About 1-(6-aminopyrimidin-4-yl)imidazolidin-4-one

1-(6-aminopyrimidin-4-yl)imidazolidin-4-one (PubChem CID 155440182) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 1-(6-aminopyrimidin-4-yl)imidazolidin-4-one.

Molecular Properties

Compound Name1-(6-aminopyrimidin-4-yl)imidazolidin-4-one
PubChem CID155440182
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name1-(6-aminopyrimidin-4-yl)imidazolidin-4-one
SMILESNc1cc(N2CNC(=O)C2)ncn1
InChIInChI=1S/C7H9N5O/c8-5-1-6(10-3-9-5)12-2-7(13)11-4-12/h1,3H,2,4H2,(H,11,13)(H2,8,9,10)
InChIKeyQDSRTCHXSHYUAZ-UHFFFAOYSA-N
XLogP-1.05
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-aminopyrimidin-4-yl)imidazolidin-4-one?
The IUPAC name of 1-(6-aminopyrimidin-4-yl)imidazolidin-4-one (CID 155440182) is 1-(6-aminopyrimidin-4-yl)imidazolidin-4-one.
What is the SMILES notation for 1-(6-aminopyrimidin-4-yl)imidazolidin-4-one?
The canonical SMILES for 1-(6-aminopyrimidin-4-yl)imidazolidin-4-one is Nc1cc(N2CNC(=O)C2)ncn1.
What is the InChIKey of 1-(6-aminopyrimidin-4-yl)imidazolidin-4-one?
The InChIKey is QDSRTCHXSHYUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c8-5-1-6(10-3-9-5)12-2-7(13)11-4-12/h1,3H,2,4H2,(H,11,13)(H2,8,9,10).
What are the key properties of 1-(6-aminopyrimidin-4-yl)imidazolidin-4-one?
1-(6-aminopyrimidin-4-yl)imidazolidin-4-one has a molecular weight of 179.18 g/mol, XLogP of -1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminopyrimidin-4-yl)imidazolidin-4-one is sourced from PubChem (CID 155440182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).