6-amino-5-(2-hydroxyacetyl)-1-methylpyrimidine-2,4-dione

C7H9N3O4 — CID 55221703

IUPAC6-amino-5-(2-hydroxyacetyl)-1-methylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)CO)c(=O)[nH]c1=O
InChIInChI=1S/C7H9N3O4/c1-10-5(8)4(3(12)2-11)6(13)9-7(10)14/h11H,2,8H2,1H3,(H,9,13,14)
InChIKeyHWPMNKBUSRUTMD-UHFFFAOYSA-N
MW199.17 g/mol
LogP-2.17
Rot. Bonds2

About 6-amino-5-(2-hydroxyacetyl)-1-methylpyrimidine-2,4-dione

6-amino-5-(2-hydroxyacetyl)-1-methylpyrimidine-2,4-dione (PubChem CID 55221703) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is 6-amino-5-(2-hydroxyacetyl)-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(2-hydroxyacetyl)-1-methylpyrimidine-2,4-dione
PubChem CID55221703
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Name6-amino-5-(2-hydroxyacetyl)-1-methylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)CO)c(=O)[nH]c1=O
InChIInChI=1S/C7H9N3O4/c1-10-5(8)4(3(12)2-11)6(13)9-7(10)14/h11H,2,8H2,1H3,(H,9,13,14)
InChIKeyHWPMNKBUSRUTMD-UHFFFAOYSA-N
XLogP-2.17
TPSA118.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-2.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2-hydroxyacetyl)-1-methylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(2-hydroxyacetyl)-1-methylpyrimidine-2,4-dione (CID 55221703) is 6-amino-5-(2-hydroxyacetyl)-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(2-hydroxyacetyl)-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(2-hydroxyacetyl)-1-methylpyrimidine-2,4-dione is Cn1c(N)c(C(=O)CO)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(2-hydroxyacetyl)-1-methylpyrimidine-2,4-dione?
The InChIKey is HWPMNKBUSRUTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4/c1-10-5(8)4(3(12)2-11)6(13)9-7(10)14/h11H,2,8H2,1H3,(H,9,13,14).
What are the key properties of 6-amino-5-(2-hydroxyacetyl)-1-methylpyrimidine-2,4-dione?
6-amino-5-(2-hydroxyacetyl)-1-methylpyrimidine-2,4-dione has a molecular weight of 199.17 g/mol, XLogP of -2.17, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2-hydroxyacetyl)-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 55221703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).