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

C16H17N3O2 — CID 10779336

IUPAC6-(2,3-dihydro-1H-inden-5-ylamino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione
SMILESC=CCn1c(=O)cc(Nc2ccc3c(c2)CCC3)[nH]c1=O
InChIInChI=1S/C16H17N3O2/c1-2-8-19-15(20)10-14(18-16(19)21)17-13-7-6-11-4-3-5-12(11)9-13/h2,6-7,9-10,17H,1,3-5,8H2,(H,18,21)
InChIKeyXFLKRCJKWRFIRC-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.95
Rot. Bonds4

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

6-(2,3-dihydro-1H-inden-5-ylamino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione (PubChem CID 10779336) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-5-ylamino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-5-ylamino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione
PubChem CID10779336
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name6-(2,3-dihydro-1H-inden-5-ylamino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione
SMILESC=CCn1c(=O)cc(Nc2ccc3c(c2)CCC3)[nH]c1=O
InChIInChI=1S/C16H17N3O2/c1-2-8-19-15(20)10-14(18-16(19)21)17-13-7-6-11-4-3-5-12(11)9-13/h2,6-7,9-10,17H,1,3-5,8H2,(H,18,21)
InChIKeyXFLKRCJKWRFIRC-UHFFFAOYSA-N
XLogP1.95
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-prop-2-enyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(2,3-dihydro-1H-inden-5-ylamino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione (CID 10779336) is 6-(2,3-dihydro-1H-inden-5-ylamino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-5-ylamino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-5-ylamino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione is C=CCn1c(=O)cc(Nc2ccc3c(c2)CCC3)[nH]c1=O.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-5-ylamino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione?
The InChIKey is XFLKRCJKWRFIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-2-8-19-15(20)10-14(18-16(19)21)17-13-7-6-11-4-3-5-12(11)9-13/h2,6-7,9-10,17H,1,3-5,8H2,(H,18,21).
What are the key properties of 6-(2,3-dihydro-1H-inden-5-ylamino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione?
6-(2,3-dihydro-1H-inden-5-ylamino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione has a molecular weight of 283.33 g/mol, XLogP of 1.95, 4 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-prop-2-enyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 10779336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).