2-(2-hydroxyethylamino)-1H-pyrimidin-6-one

C6H9N3O2 — CID 2069277

IUPAC2-(2-hydroxyethylamino)-1H-pyrimidin-6-one
SMILESO=c1ccnc(NCCO)[nH]1
InChIInChI=1S/C6H9N3O2/c10-4-3-8-6-7-2-1-5(11)9-6/h1-2,10H,3-4H2,(H2,7,8,9,11)
InChIKeyMDGVSMWYCPDCSP-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.83
Rot. Bonds3

About 2-(2-hydroxyethylamino)-1H-pyrimidin-6-one

2-(2-hydroxyethylamino)-1H-pyrimidin-6-one (PubChem CID 2069277) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-1H-pyrimidin-6-one
PubChem CID2069277
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name2-(2-hydroxyethylamino)-1H-pyrimidin-6-one
SMILESO=c1ccnc(NCCO)[nH]1
InChIInChI=1S/C6H9N3O2/c10-4-3-8-6-7-2-1-5(11)9-6/h1-2,10H,3-4H2,(H2,7,8,9,11)
InChIKeyMDGVSMWYCPDCSP-UHFFFAOYSA-N
XLogP-0.83
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-hydroxyethylamino)-1H-pyrimidin-6-one (CID 2069277) is 2-(2-hydroxyethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-hydroxyethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-hydroxyethylamino)-1H-pyrimidin-6-one is O=c1ccnc(NCCO)[nH]1.
What is the InChIKey of 2-(2-hydroxyethylamino)-1H-pyrimidin-6-one?
The InChIKey is MDGVSMWYCPDCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c10-4-3-8-6-7-2-1-5(11)9-6/h1-2,10H,3-4H2,(H2,7,8,9,11).
What are the key properties of 2-(2-hydroxyethylamino)-1H-pyrimidin-6-one?
2-(2-hydroxyethylamino)-1H-pyrimidin-6-one has a molecular weight of 155.16 g/mol, XLogP of -0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 2069277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).