6-(2,3-dihydro-1H-inden-5-ylamino)-3-hexyl-1H-pyrimidine-2,4-dione

C19H25N3O2 — CID 10734994

IUPAC6-(2,3-dihydro-1H-inden-5-ylamino)-3-hexyl-1H-pyrimidine-2,4-dione
SMILESCCCCCCn1c(=O)cc(Nc2ccc3c(c2)CCC3)[nH]c1=O
InChIInChI=1S/C19H25N3O2/c1-2-3-4-5-11-22-18(23)13-17(21-19(22)24)20-16-10-9-14-7-6-8-15(14)12-16/h9-10,12-13,20H,2-8,11H2,1H3,(H,21,24)
InChIKeyQMQHDWBOBKJTPE-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.35
Rot. Bonds7

About 6-(2,3-dihydro-1H-inden-5-ylamino)-3-hexyl-1H-pyrimidine-2,4-dione

6-(2,3-dihydro-1H-inden-5-ylamino)-3-hexyl-1H-pyrimidine-2,4-dione (PubChem CID 10734994) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-5-ylamino)-3-hexyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-5-ylamino)-3-hexyl-1H-pyrimidine-2,4-dione
PubChem CID10734994
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name6-(2,3-dihydro-1H-inden-5-ylamino)-3-hexyl-1H-pyrimidine-2,4-dione
SMILESCCCCCCn1c(=O)cc(Nc2ccc3c(c2)CCC3)[nH]c1=O
InChIInChI=1S/C19H25N3O2/c1-2-3-4-5-11-22-18(23)13-17(21-19(22)24)20-16-10-9-14-7-6-8-15(14)12-16/h9-10,12-13,20H,2-8,11H2,1H3,(H,21,24)
InChIKeyQMQHDWBOBKJTPE-UHFFFAOYSA-N
XLogP3.35
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.35
H-Bond Donors ≤ 52
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-(2,3-dihydro-1H-inden-5-ylamino)-3-hexyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(2,3-dihydro-1H-inden-5-ylamino)-3-hexyl-1H-pyrimidine-2,4-dione (CID 10734994) is 6-(2,3-dihydro-1H-inden-5-ylamino)-3-hexyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-5-ylamino)-3-hexyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-5-ylamino)-3-hexyl-1H-pyrimidine-2,4-dione is CCCCCCn1c(=O)cc(Nc2ccc3c(c2)CCC3)[nH]c1=O.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-5-ylamino)-3-hexyl-1H-pyrimidine-2,4-dione?
The InChIKey is QMQHDWBOBKJTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-2-3-4-5-11-22-18(23)13-17(21-19(22)24)20-16-10-9-14-7-6-8-15(14)12-16/h9-10,12-13,20H,2-8,11H2,1H3,(H,21,24).
What are the key properties of 6-(2,3-dihydro-1H-inden-5-ylamino)-3-hexyl-1H-pyrimidine-2,4-dione?
6-(2,3-dihydro-1H-inden-5-ylamino)-3-hexyl-1H-pyrimidine-2,4-dione has a molecular weight of 327.43 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-inden-5-ylamino)-3-hexyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 10734994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).