2-(2-hydroxyethylamino)-4-methyl-1H-pyrimidin-6-one

C7H11N3O2 — CID 135403602

IUPAC2-(2-hydroxyethylamino)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NCCO)n1
InChIInChI=1S/C7H11N3O2/c1-5-4-6(12)10-7(9-5)8-2-3-11/h4,11H,2-3H2,1H3,(H2,8,9,10,12)
InChIKeyVXSHJVACJPMVSL-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.52
Rot. Bonds3

About 2-(2-hydroxyethylamino)-4-methyl-1H-pyrimidin-6-one

2-(2-hydroxyethylamino)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135403602) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-4-methyl-1H-pyrimidin-6-one
PubChem CID135403602
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-(2-hydroxyethylamino)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NCCO)n1
InChIInChI=1S/C7H11N3O2/c1-5-4-6(12)10-7(9-5)8-2-3-11/h4,11H,2-3H2,1H3,(H2,8,9,10,12)
InChIKeyVXSHJVACJPMVSL-UHFFFAOYSA-N
XLogP-0.52
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-hydroxyethylamino)-4-methyl-1H-pyrimidin-6-one (CID 135403602) is 2-(2-hydroxyethylamino)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-hydroxyethylamino)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-hydroxyethylamino)-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(NCCO)n1.
What is the InChIKey of 2-(2-hydroxyethylamino)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is VXSHJVACJPMVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-5-4-6(12)10-7(9-5)8-2-3-11/h4,11H,2-3H2,1H3,(H2,8,9,10,12).
What are the key properties of 2-(2-hydroxyethylamino)-4-methyl-1H-pyrimidin-6-one?
2-(2-hydroxyethylamino)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 169.18 g/mol, XLogP of -0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135403602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).