5-(3-hydroxypropylamino)-1H-pyrimidine-2,4-dione

C7H11N3O3 — CID 19589357

IUPAC5-(3-hydroxypropylamino)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(NCCCO)c(=O)[nH]1
InChIInChI=1S/C7H11N3O3/c11-3-1-2-8-5-4-9-7(13)10-6(5)12/h4,8,11H,1-3H2,(H2,9,10,12,13)
InChIKeyBDIXWZLLNILION-UHFFFAOYSA-N
MW185.18 g/mol
LogP-1.14
Rot. Bonds4

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

5-(3-hydroxypropylamino)-1H-pyrimidine-2,4-dione (PubChem CID 19589357) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 5-(3-hydroxypropylamino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3-hydroxypropylamino)-1H-pyrimidine-2,4-dione
PubChem CID19589357
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name5-(3-hydroxypropylamino)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(NCCCO)c(=O)[nH]1
InChIInChI=1S/C7H11N3O3/c11-3-1-2-8-5-4-9-7(13)10-6(5)12/h4,8,11H,1-3H2,(H2,9,10,12,13)
InChIKeyBDIXWZLLNILION-UHFFFAOYSA-N
XLogP-1.14
TPSA97.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(3-hydroxypropylamino)-1H-pyrimidine-2,4-dione (CID 19589357) is 5-(3-hydroxypropylamino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(3-hydroxypropylamino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(3-hydroxypropylamino)-1H-pyrimidine-2,4-dione is O=c1[nH]cc(NCCCO)c(=O)[nH]1.
What is the InChIKey of 5-(3-hydroxypropylamino)-1H-pyrimidine-2,4-dione?
The InChIKey is BDIXWZLLNILION-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c11-3-1-2-8-5-4-9-7(13)10-6(5)12/h4,8,11H,1-3H2,(H2,9,10,12,13).
What are the key properties of 5-(3-hydroxypropylamino)-1H-pyrimidine-2,4-dione?
5-(3-hydroxypropylamino)-1H-pyrimidine-2,4-dione has a molecular weight of 185.18 g/mol, XLogP of -1.14, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypropylamino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 19589357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).