6-chloro-3-(2,3-dihydro-1H-inden-2-yl)-5-propyl-1H-pyrimidine-2,4-dione

C16H17ClN2O2 — CID 107854464

IUPAC6-chloro-3-(2,3-dihydro-1H-inden-2-yl)-5-propyl-1H-pyrimidine-2,4-dione
SMILESCCCc1c(Cl)[nH]c(=O)n(C2Cc3ccccc3C2)c1=O
InChIInChI=1S/C16H17ClN2O2/c1-2-5-13-14(17)18-16(21)19(15(13)20)12-8-10-6-3-4-7-11(10)9-12/h3-4,6-7,12H,2,5,8-9H2,1H3,(H,18,21)
InChIKeyWMWLJJXESPFAIM-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.48
Rot. Bonds3

About 6-chloro-3-(2,3-dihydro-1H-inden-2-yl)-5-propyl-1H-pyrimidine-2,4-dione

6-chloro-3-(2,3-dihydro-1H-inden-2-yl)-5-propyl-1H-pyrimidine-2,4-dione (PubChem CID 107854464) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 6-chloro-3-(2,3-dihydro-1H-inden-2-yl)-5-propyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-(2,3-dihydro-1H-inden-2-yl)-5-propyl-1H-pyrimidine-2,4-dione
PubChem CID107854464
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name6-chloro-3-(2,3-dihydro-1H-inden-2-yl)-5-propyl-1H-pyrimidine-2,4-dione
SMILESCCCc1c(Cl)[nH]c(=O)n(C2Cc3ccccc3C2)c1=O
InChIInChI=1S/C16H17ClN2O2/c1-2-5-13-14(17)18-16(21)19(15(13)20)12-8-10-6-3-4-7-11(10)9-12/h3-4,6-7,12H,2,5,8-9H2,1H3,(H,18,21)
InChIKeyWMWLJJXESPFAIM-UHFFFAOYSA-N
XLogP2.48
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2,3-dihydro-1H-inden-2-yl)-5-propyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-(2,3-dihydro-1H-inden-2-yl)-5-propyl-1H-pyrimidine-2,4-dione (CID 107854464) is 6-chloro-3-(2,3-dihydro-1H-inden-2-yl)-5-propyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-(2,3-dihydro-1H-inden-2-yl)-5-propyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-(2,3-dihydro-1H-inden-2-yl)-5-propyl-1H-pyrimidine-2,4-dione is CCCc1c(Cl)[nH]c(=O)n(C2Cc3ccccc3C2)c1=O.
What is the InChIKey of 6-chloro-3-(2,3-dihydro-1H-inden-2-yl)-5-propyl-1H-pyrimidine-2,4-dione?
The InChIKey is WMWLJJXESPFAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-2-5-13-14(17)18-16(21)19(15(13)20)12-8-10-6-3-4-7-11(10)9-12/h3-4,6-7,12H,2,5,8-9H2,1H3,(H,18,21).
What are the key properties of 6-chloro-3-(2,3-dihydro-1H-inden-2-yl)-5-propyl-1H-pyrimidine-2,4-dione?
6-chloro-3-(2,3-dihydro-1H-inden-2-yl)-5-propyl-1H-pyrimidine-2,4-dione has a molecular weight of 304.78 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2,3-dihydro-1H-inden-2-yl)-5-propyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 107854464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).