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

C8H14N4O3 — CID 10965871

IUPAC5-amino-6-(3-hydroxypropylamino)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(NCCCO)c(N)c1=O
InChIInChI=1S/C8H14N4O3/c1-12-7(14)5(9)6(11-8(12)15)10-3-2-4-13/h10,13H,2-4,9H2,1H3,(H,11,15)
InChIKeyBIBIBBVXYIAQOD-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.55
Rot. Bonds4

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

5-amino-6-(3-hydroxypropylamino)-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 10965871) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 5-amino-6-(3-hydroxypropylamino)-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-6-(3-hydroxypropylamino)-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID10965871
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name5-amino-6-(3-hydroxypropylamino)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(NCCCO)c(N)c1=O
InChIInChI=1S/C8H14N4O3/c1-12-7(14)5(9)6(11-8(12)15)10-3-2-4-13/h10,13H,2-4,9H2,1H3,(H,11,15)
InChIKeyBIBIBBVXYIAQOD-UHFFFAOYSA-N
XLogP-1.55
TPSA113.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.55
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 5-amino-6-(3-hydroxypropylamino)-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-amino-6-(3-hydroxypropylamino)-3-methyl-1H-pyrimidine-2,4-dione (CID 10965871) is 5-amino-6-(3-hydroxypropylamino)-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-6-(3-hydroxypropylamino)-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-6-(3-hydroxypropylamino)-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]c(NCCCO)c(N)c1=O.
What is the InChIKey of 5-amino-6-(3-hydroxypropylamino)-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is BIBIBBVXYIAQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-12-7(14)5(9)6(11-8(12)15)10-3-2-4-13/h10,13H,2-4,9H2,1H3,(H,11,15).
What are the key properties of 5-amino-6-(3-hydroxypropylamino)-3-methyl-1H-pyrimidine-2,4-dione?
5-amino-6-(3-hydroxypropylamino)-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 214.22 g/mol, XLogP of -1.55, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3-hydroxypropylamino)-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 10965871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).