1-[(2R)-2,4-dimethylhexyl]-5-methylpyrimidine-2,4-dione

C13H22N2O2 — CID 163296260

IUPAC1-[(2R)-2,4-dimethylhexyl]-5-methylpyrimidine-2,4-dione
SMILESCCC(C)C[C@@H](C)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C13H22N2O2/c1-5-9(2)6-10(3)7-15-8-11(4)12(16)14-13(15)17/h8-10H,5-7H2,1-4H3,(H,14,16,17)/t9?,10-/m1/s1
InChIKeyRPDRGPYUFXAFSO-QVDQXJPCSA-N
MW238.33 g/mol
LogP1.92
Rot. Bonds5

About 1-[(2R)-2,4-dimethylhexyl]-5-methylpyrimidine-2,4-dione

1-[(2R)-2,4-dimethylhexyl]-5-methylpyrimidine-2,4-dione (PubChem CID 163296260) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[(2R)-2,4-dimethylhexyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R)-2,4-dimethylhexyl]-5-methylpyrimidine-2,4-dione
PubChem CID163296260
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[(2R)-2,4-dimethylhexyl]-5-methylpyrimidine-2,4-dione
SMILESCCC(C)C[C@@H](C)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C13H22N2O2/c1-5-9(2)6-10(3)7-15-8-11(4)12(16)14-13(15)17/h8-10H,5-7H2,1-4H3,(H,14,16,17)/t9?,10-/m1/s1
InChIKeyRPDRGPYUFXAFSO-QVDQXJPCSA-N
XLogP1.92
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2,4-dimethylhexyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R)-2,4-dimethylhexyl]-5-methylpyrimidine-2,4-dione (CID 163296260) is 1-[(2R)-2,4-dimethylhexyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R)-2,4-dimethylhexyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R)-2,4-dimethylhexyl]-5-methylpyrimidine-2,4-dione is CCC(C)C[C@@H](C)Cn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R)-2,4-dimethylhexyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is RPDRGPYUFXAFSO-QVDQXJPCSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-5-9(2)6-10(3)7-15-8-11(4)12(16)14-13(15)17/h8-10H,5-7H2,1-4H3,(H,14,16,17)/t9?,10-/m1/s1.
What are the key properties of 1-[(2R)-2,4-dimethylhexyl]-5-methylpyrimidine-2,4-dione?
1-[(2R)-2,4-dimethylhexyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 238.33 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2,4-dimethylhexyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 163296260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).