5-(3-hydroxypropylamino)-1,3-dimethylpyrimidine-2,4-dione

C9H15N3O3 — CID 175694676

IUPAC5-(3-hydroxypropylamino)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(NCCCO)c(=O)n(C)c1=O
InChIInChI=1S/C9H15N3O3/c1-11-6-7(10-4-3-5-13)8(14)12(2)9(11)15/h6,10,13H,3-5H2,1-2H3
InChIKeyHFWRUVIZJJLKBU-UHFFFAOYSA-N
MW213.24 g/mol
LogP-1.12
Rot. Bonds4

About 5-(3-hydroxypropylamino)-1,3-dimethylpyrimidine-2,4-dione

5-(3-hydroxypropylamino)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 175694676) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 5-(3-hydroxypropylamino)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3-hydroxypropylamino)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID175694676
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name5-(3-hydroxypropylamino)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(NCCCO)c(=O)n(C)c1=O
InChIInChI=1S/C9H15N3O3/c1-11-6-7(10-4-3-5-13)8(14)12(2)9(11)15/h6,10,13H,3-5H2,1-2H3
InChIKeyHFWRUVIZJJLKBU-UHFFFAOYSA-N
XLogP-1.12
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-1.12
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 5-(3-hydroxypropylamino)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-(3-hydroxypropylamino)-1,3-dimethylpyrimidine-2,4-dione (CID 175694676) is 5-(3-hydroxypropylamino)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(3-hydroxypropylamino)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-(3-hydroxypropylamino)-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(NCCCO)c(=O)n(C)c1=O.
What is the InChIKey of 5-(3-hydroxypropylamino)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is HFWRUVIZJJLKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-11-6-7(10-4-3-5-13)8(14)12(2)9(11)15/h6,10,13H,3-5H2,1-2H3.
What are the key properties of 5-(3-hydroxypropylamino)-1,3-dimethylpyrimidine-2,4-dione?
5-(3-hydroxypropylamino)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 213.24 g/mol, XLogP of -1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypropylamino)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 175694676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).