6-(7-hydroxyheptylamino)-1H-pyrimidine-2,4-dione

C11H19N3O3 — CID 146025742

IUPAC6-(7-hydroxyheptylamino)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(NCCCCCCCO)[nH]c(=O)[nH]1
InChIInChI=1S/C11H19N3O3/c15-7-5-3-1-2-4-6-12-9-8-10(16)14-11(17)13-9/h8,15H,1-7H2,(H3,12,13,14,16,17)
InChIKeyPNVYQPUBQRZQPX-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.42
Rot. Bonds8

About 6-(7-hydroxyheptylamino)-1H-pyrimidine-2,4-dione

6-(7-hydroxyheptylamino)-1H-pyrimidine-2,4-dione (PubChem CID 146025742) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 6-(7-hydroxyheptylamino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(7-hydroxyheptylamino)-1H-pyrimidine-2,4-dione
PubChem CID146025742
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name6-(7-hydroxyheptylamino)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(NCCCCCCCO)[nH]c(=O)[nH]1
InChIInChI=1S/C11H19N3O3/c15-7-5-3-1-2-4-6-12-9-8-10(16)14-11(17)13-9/h8,15H,1-7H2,(H3,12,13,14,16,17)
InChIKeyPNVYQPUBQRZQPX-UHFFFAOYSA-N
XLogP0.42
TPSA97.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.42
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 6-(7-hydroxyheptylamino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(7-hydroxyheptylamino)-1H-pyrimidine-2,4-dione (CID 146025742) is 6-(7-hydroxyheptylamino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(7-hydroxyheptylamino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(7-hydroxyheptylamino)-1H-pyrimidine-2,4-dione is O=c1cc(NCCCCCCCO)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(7-hydroxyheptylamino)-1H-pyrimidine-2,4-dione?
The InChIKey is PNVYQPUBQRZQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c15-7-5-3-1-2-4-6-12-9-8-10(16)14-11(17)13-9/h8,15H,1-7H2,(H3,12,13,14,16,17).
What are the key properties of 6-(7-hydroxyheptylamino)-1H-pyrimidine-2,4-dione?
6-(7-hydroxyheptylamino)-1H-pyrimidine-2,4-dione has a molecular weight of 241.29 g/mol, XLogP of 0.42, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-hydroxyheptylamino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 146025742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).