6-amino-1-benzyl-5-(3-hydroxypropylamino)pyrimidine-2,4-dione

C14H18N4O3 — CID 2386139

IUPAC6-amino-1-benzyl-5-(3-hydroxypropylamino)pyrimidine-2,4-dione
SMILESNc1c(NCCCO)c(=O)[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C14H18N4O3/c15-12-11(16-7-4-8-19)13(20)17-14(21)18(12)9-10-5-2-1-3-6-10/h1-3,5-6,16,19H,4,7-9,15H2,(H,17,20,21)
InChIKeyLVWWXUCAQXTOPV-UHFFFAOYSA-N
MW290.32 g/mol
LogP-0.04
Rot. Bonds6

About 6-amino-1-benzyl-5-(3-hydroxypropylamino)pyrimidine-2,4-dione

6-amino-1-benzyl-5-(3-hydroxypropylamino)pyrimidine-2,4-dione (PubChem CID 2386139) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 6-amino-1-benzyl-5-(3-hydroxypropylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-5-(3-hydroxypropylamino)pyrimidine-2,4-dione
PubChem CID2386139
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name6-amino-1-benzyl-5-(3-hydroxypropylamino)pyrimidine-2,4-dione
SMILESNc1c(NCCCO)c(=O)[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C14H18N4O3/c15-12-11(16-7-4-8-19)13(20)17-14(21)18(12)9-10-5-2-1-3-6-10/h1-3,5-6,16,19H,4,7-9,15H2,(H,17,20,21)
InChIKeyLVWWXUCAQXTOPV-UHFFFAOYSA-N
XLogP-0.04
TPSA113.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
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 6-amino-1-benzyl-5-(3-hydroxypropylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-5-(3-hydroxypropylamino)pyrimidine-2,4-dione (CID 2386139) is 6-amino-1-benzyl-5-(3-hydroxypropylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-5-(3-hydroxypropylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-5-(3-hydroxypropylamino)pyrimidine-2,4-dione is Nc1c(NCCCO)c(=O)[nH]c(=O)n1Cc1ccccc1.
What is the InChIKey of 6-amino-1-benzyl-5-(3-hydroxypropylamino)pyrimidine-2,4-dione?
The InChIKey is LVWWXUCAQXTOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c15-12-11(16-7-4-8-19)13(20)17-14(21)18(12)9-10-5-2-1-3-6-10/h1-3,5-6,16,19H,4,7-9,15H2,(H,17,20,21).
What are the key properties of 6-amino-1-benzyl-5-(3-hydroxypropylamino)pyrimidine-2,4-dione?
6-amino-1-benzyl-5-(3-hydroxypropylamino)pyrimidine-2,4-dione has a molecular weight of 290.32 g/mol, XLogP of -0.04, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-benzyl-5-(3-hydroxypropylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 2386139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).