5-(cyclopropylamino)-4-hydroxy-2-methyl-1H-pyrimidin-6-one

C8H11N3O2 — CID 132587841

IUPAC5-(cyclopropylamino)-4-hydroxy-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(O)c(NC2CC2)c(=O)[nH]1
InChIInChI=1S/C8H11N3O2/c1-4-9-7(12)6(8(13)10-4)11-5-2-3-5/h5,11H,2-3H2,1H3,(H2,9,10,12,13)
InChIKeyJGNLYIMPUZJWRQ-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.36
Rot. Bonds2

About 5-(cyclopropylamino)-4-hydroxy-2-methyl-1H-pyrimidin-6-one

5-(cyclopropylamino)-4-hydroxy-2-methyl-1H-pyrimidin-6-one (PubChem CID 132587841) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 5-(cyclopropylamino)-4-hydroxy-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(cyclopropylamino)-4-hydroxy-2-methyl-1H-pyrimidin-6-one
PubChem CID132587841
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name5-(cyclopropylamino)-4-hydroxy-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(O)c(NC2CC2)c(=O)[nH]1
InChIInChI=1S/C8H11N3O2/c1-4-9-7(12)6(8(13)10-4)11-5-2-3-5/h5,11H,2-3H2,1H3,(H2,9,10,12,13)
InChIKeyJGNLYIMPUZJWRQ-UHFFFAOYSA-N
XLogP0.36
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.36
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-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-(cyclopropylamino)-4-hydroxy-2-methyl-1H-pyrimidin-6-one (CID 132587841) is 5-(cyclopropylamino)-4-hydroxy-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(cyclopropylamino)-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(cyclopropylamino)-4-hydroxy-2-methyl-1H-pyrimidin-6-one is Cc1nc(O)c(NC2CC2)c(=O)[nH]1.
What is the InChIKey of 5-(cyclopropylamino)-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The InChIKey is JGNLYIMPUZJWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-4-9-7(12)6(8(13)10-4)11-5-2-3-5/h5,11H,2-3H2,1H3,(H2,9,10,12,13).
What are the key properties of 5-(cyclopropylamino)-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
5-(cyclopropylamino)-4-hydroxy-2-methyl-1H-pyrimidin-6-one has a molecular weight of 181.19 g/mol, XLogP of 0.36, 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-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 132587841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).