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

C23H30N2O3 — CID 15957706

IUPAC1-(cyclohexylmethyl)-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2CC2CCCCC2)c1
InChIInChI=1S/C23H30N2O3/c1-14(2)19-20(21(26)18-11-15(3)10-16(4)12-18)25(23(28)24-22(19)27)13-17-8-6-5-7-9-17/h10-12,14,17H,5-9,13H2,1-4H3,(H,24,27,28)
InChIKeyMCNQPZJFPCWMBX-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.09
Rot. Bonds5

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

1-(cyclohexylmethyl)-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione (PubChem CID 15957706) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione
PubChem CID15957706
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name1-(cyclohexylmethyl)-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2CC2CCCCC2)c1
InChIInChI=1S/C23H30N2O3/c1-14(2)19-20(21(26)18-11-15(3)10-16(4)12-18)25(23(28)24-22(19)27)13-17-8-6-5-7-9-17/h10-12,14,17H,5-9,13H2,1-4H3,(H,24,27,28)
InChIKeyMCNQPZJFPCWMBX-UHFFFAOYSA-N
XLogP4.09
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 1-(cyclohexylmethyl)-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione (CID 15957706) is 1-(cyclohexylmethyl)-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(cyclohexylmethyl)-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 1-(cyclohexylmethyl)-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione is Cc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2CC2CCCCC2)c1.
What is the InChIKey of 1-(cyclohexylmethyl)-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is MCNQPZJFPCWMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-14(2)19-20(21(26)18-11-15(3)10-16(4)12-18)25(23(28)24-22(19)27)13-17-8-6-5-7-9-17/h10-12,14,17H,5-9,13H2,1-4H3,(H,24,27,28).
What are the key properties of 1-(cyclohexylmethyl)-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione?
1-(cyclohexylmethyl)-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 382.50 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 15957706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).