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

C6H9N3O2 — CID 132587822

IUPAC5-(ethylamino)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCNc1c(O)nc[nH]c1=O
InChIInChI=1S/C6H9N3O2/c1-2-7-4-5(10)8-3-9-6(4)11/h3,7H,2H2,1H3,(H2,8,9,10,11)
InChIKeyDIEISXGSYSDBQJ-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.09
Rot. Bonds2

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

5-(ethylamino)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 132587822) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 5-(ethylamino)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(ethylamino)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID132587822
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name5-(ethylamino)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCNc1c(O)nc[nH]c1=O
InChIInChI=1S/C6H9N3O2/c1-2-7-4-5(10)8-3-9-6(4)11/h3,7H,2H2,1H3,(H2,8,9,10,11)
InChIKeyDIEISXGSYSDBQJ-UHFFFAOYSA-N
XLogP-0.09
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-(ethylamino)-4-hydroxy-1H-pyrimidin-6-one (CID 132587822) is 5-(ethylamino)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(ethylamino)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-(ethylamino)-4-hydroxy-1H-pyrimidin-6-one is CCNc1c(O)nc[nH]c1=O.
What is the InChIKey of 5-(ethylamino)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is DIEISXGSYSDBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-2-7-4-5(10)8-3-9-6(4)11/h3,7H,2H2,1H3,(H2,8,9,10,11).
What are the key properties of 5-(ethylamino)-4-hydroxy-1H-pyrimidin-6-one?
5-(ethylamino)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 155.16 g/mol, XLogP of -0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 132587822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).