6-(3,5-dimethylbenzoyl)-1-(naphthalen-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione

C27H26N2O3 — CID 15957772

IUPAC6-(3,5-dimethylbenzoyl)-1-(naphthalen-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C27H26N2O3/c1-16(2)23-24(25(30)22-12-17(3)11-18(4)13-22)29(27(32)28-26(23)31)15-19-9-10-20-7-5-6-8-21(20)14-19/h5-14,16H,15H2,1-4H3,(H,28,31,32)
InChIKeyDJGSJMPFLYWBHD-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.71
Rot. Bonds5

About 6-(3,5-dimethylbenzoyl)-1-(naphthalen-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione

6-(3,5-dimethylbenzoyl)-1-(naphthalen-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione (PubChem CID 15957772) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is 6-(3,5-dimethylbenzoyl)-1-(naphthalen-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3,5-dimethylbenzoyl)-1-(naphthalen-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione
PubChem CID15957772
Molecular FormulaC27H26N2O3
Molecular Weight426.52 g/mol
Exact Mass426.19
IUPAC Name6-(3,5-dimethylbenzoyl)-1-(naphthalen-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C27H26N2O3/c1-16(2)23-24(25(30)22-12-17(3)11-18(4)13-22)29(27(32)28-26(23)31)15-19-9-10-20-7-5-6-8-21(20)14-19/h5-14,16H,15H2,1-4H3,(H,28,31,32)
InChIKeyDJGSJMPFLYWBHD-UHFFFAOYSA-N
XLogP4.71
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylbenzoyl)-1-(naphthalen-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 6-(3,5-dimethylbenzoyl)-1-(naphthalen-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione (CID 15957772) is 6-(3,5-dimethylbenzoyl)-1-(naphthalen-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(3,5-dimethylbenzoyl)-1-(naphthalen-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 6-(3,5-dimethylbenzoyl)-1-(naphthalen-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione is Cc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2ccc3ccccc3c2)c1.
What is the InChIKey of 6-(3,5-dimethylbenzoyl)-1-(naphthalen-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is DJGSJMPFLYWBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3/c1-16(2)23-24(25(30)22-12-17(3)11-18(4)13-22)29(27(32)28-26(23)31)15-19-9-10-20-7-5-6-8-21(20)14-19/h5-14,16H,15H2,1-4H3,(H,28,31,32).
What are the key properties of 6-(3,5-dimethylbenzoyl)-1-(naphthalen-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione?
6-(3,5-dimethylbenzoyl)-1-(naphthalen-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 426.52 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylbenzoyl)-1-(naphthalen-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 15957772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).