6-[(dipropylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione

C11H18IN3O2 — CID 155562020

IUPAC6-[(dipropylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione
SMILESCCCN(CCC)Cc1[nH]c(=O)[nH]c(=O)c1I
InChIInChI=1S/C11H18IN3O2/c1-3-5-15(6-4-2)7-8-9(12)10(16)14-11(17)13-8/h3-7H2,1-2H3,(H2,13,14,16,17)
InChIKeyJWMFASAGPDWMGV-UHFFFAOYSA-N
MW351.19 g/mol
LogP1.29
Rot. Bonds6

About 6-[(dipropylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione

6-[(dipropylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione (PubChem CID 155562020) has the molecular formula C11H18IN3O2 and a molecular weight of 351.19 g/mol. Its IUPAC name is 6-[(dipropylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(dipropylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione
PubChem CID155562020
Molecular FormulaC11H18IN3O2
Molecular Weight351.19 g/mol
Exact Mass351.04
IUPAC Name6-[(dipropylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione
SMILESCCCN(CCC)Cc1[nH]c(=O)[nH]c(=O)c1I
InChIInChI=1S/C11H18IN3O2/c1-3-5-15(6-4-2)7-8-9(12)10(16)14-11(17)13-8/h3-7H2,1-2H3,(H2,13,14,16,17)
InChIKeyJWMFASAGPDWMGV-UHFFFAOYSA-N
XLogP1.29
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(dipropylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(dipropylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione (CID 155562020) is 6-[(dipropylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(dipropylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(dipropylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione is CCCN(CCC)Cc1[nH]c(=O)[nH]c(=O)c1I.
What is the InChIKey of 6-[(dipropylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione?
The InChIKey is JWMFASAGPDWMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18IN3O2/c1-3-5-15(6-4-2)7-8-9(12)10(16)14-11(17)13-8/h3-7H2,1-2H3,(H2,13,14,16,17).
What are the key properties of 6-[(dipropylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione?
6-[(dipropylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione has a molecular weight of 351.19 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(dipropylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 155562020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).