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

C8H11N3O2 — CID 63554287

IUPAC2-[(cyclopropylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(CNC2CC2)[nH]1
InChIInChI=1S/C8H11N3O2/c12-7-3-8(13)11-6(10-7)4-9-5-1-2-5/h3,5,9H,1-2,4H2,(H2,10,11,12,13)
InChIKeyVUGXPIKRLXUYRZ-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.27
Rot. Bonds3

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

2-[(cyclopropylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 63554287) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID63554287
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-[(cyclopropylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(CNC2CC2)[nH]1
InChIInChI=1S/C8H11N3O2/c12-7-3-8(13)11-6(10-7)4-9-5-1-2-5/h3,5,9H,1-2,4H2,(H2,10,11,12,13)
InChIKeyVUGXPIKRLXUYRZ-UHFFFAOYSA-N
XLogP-0.27
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[(cyclopropylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one (CID 63554287) is 2-[(cyclopropylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one is O=c1cc(O)nc(CNC2CC2)[nH]1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is VUGXPIKRLXUYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c12-7-3-8(13)11-6(10-7)4-9-5-1-2-5/h3,5,9H,1-2,4H2,(H2,10,11,12,13).
What are the key properties of 2-[(cyclopropylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one?
2-[(cyclopropylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 181.19 g/mol, XLogP of -0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 63554287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).