4-amino-1-(2-hydroxyethoxymethyl)pyrimidin-2-one

C7H11N3O3 — CID 512647

IUPAC4-amino-1-(2-hydroxyethoxymethyl)pyrimidin-2-one
SMILESNc1ccn(COCCO)c(=O)n1
InChIInChI=1S/C7H11N3O3/c8-6-1-2-10(7(12)9-6)5-13-4-3-11/h1-2,11H,3-5H2,(H2,8,9,12)
InChIKeyDLESWOKDNKUHQM-UHFFFAOYSA-N
MW185.18 g/mol
LogP-1.21
Rot. Bonds4

About 4-amino-1-(2-hydroxyethoxymethyl)pyrimidin-2-one

4-amino-1-(2-hydroxyethoxymethyl)pyrimidin-2-one (PubChem CID 512647) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 4-amino-1-(2-hydroxyethoxymethyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(2-hydroxyethoxymethyl)pyrimidin-2-one
PubChem CID512647
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name4-amino-1-(2-hydroxyethoxymethyl)pyrimidin-2-one
SMILESNc1ccn(COCCO)c(=O)n1
InChIInChI=1S/C7H11N3O3/c8-6-1-2-10(7(12)9-6)5-13-4-3-11/h1-2,11H,3-5H2,(H2,8,9,12)
InChIKeyDLESWOKDNKUHQM-UHFFFAOYSA-N
XLogP-1.21
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-hydroxyethoxymethyl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-(2-hydroxyethoxymethyl)pyrimidin-2-one (CID 512647) is 4-amino-1-(2-hydroxyethoxymethyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(2-hydroxyethoxymethyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-(2-hydroxyethoxymethyl)pyrimidin-2-one is Nc1ccn(COCCO)c(=O)n1.
What is the InChIKey of 4-amino-1-(2-hydroxyethoxymethyl)pyrimidin-2-one?
The InChIKey is DLESWOKDNKUHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c8-6-1-2-10(7(12)9-6)5-13-4-3-11/h1-2,11H,3-5H2,(H2,8,9,12).
What are the key properties of 4-amino-1-(2-hydroxyethoxymethyl)pyrimidin-2-one?
4-amino-1-(2-hydroxyethoxymethyl)pyrimidin-2-one has a molecular weight of 185.18 g/mol, XLogP of -1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-hydroxyethoxymethyl)pyrimidin-2-one is sourced from PubChem (CID 512647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).