5-(cyclopropylamino)-4-hydroxy-1H-pyrimidin-6-one

C7H9N3O2 — CID 132587842

IUPAC5-(cyclopropylamino)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(O)c1NC1CC1
InChIInChI=1S/C7H9N3O2/c11-6-5(10-4-1-2-4)7(12)9-3-8-6/h3-4,10H,1-2H2,(H2,8,9,11,12)
InChIKeyUXJZGNIKLODFFW-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.05
Rot. Bonds2

About 5-(cyclopropylamino)-4-hydroxy-1H-pyrimidin-6-one

5-(cyclopropylamino)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 132587842) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 5-(cyclopropylamino)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(cyclopropylamino)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID132587842
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name5-(cyclopropylamino)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(O)c1NC1CC1
InChIInChI=1S/C7H9N3O2/c11-6-5(10-4-1-2-4)7(12)9-3-8-6/h3-4,10H,1-2H2,(H2,8,9,11,12)
InChIKeyUXJZGNIKLODFFW-UHFFFAOYSA-N
XLogP0.05
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-(cyclopropylamino)-4-hydroxy-1H-pyrimidin-6-one (CID 132587842) is 5-(cyclopropylamino)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(cyclopropylamino)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-(cyclopropylamino)-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]cnc(O)c1NC1CC1.
What is the InChIKey of 5-(cyclopropylamino)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is UXJZGNIKLODFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c11-6-5(10-4-1-2-4)7(12)9-3-8-6/h3-4,10H,1-2H2,(H2,8,9,11,12).
What are the key properties of 5-(cyclopropylamino)-4-hydroxy-1H-pyrimidin-6-one?
5-(cyclopropylamino)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 167.17 g/mol, XLogP of 0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 132587842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).