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

C24H30N2O2 — CID 142656474

IUPAC1-hexyl-6-(naphthalen-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCCCCCCn1c(Cc2ccc3ccccc3c2)c(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C24H30N2O2/c1-4-5-6-9-14-26-21(22(17(2)3)23(27)25-24(26)28)16-18-12-13-19-10-7-8-11-20(19)15-18/h7-8,10-13,15,17H,4-6,9,14,16H2,1-3H3,(H,25,27,28)
InChIKeyDQXSPVSYGKAPIY-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.98
Rot. Bonds8

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

1-hexyl-6-(naphthalen-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione (PubChem CID 142656474) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-hexyl-6-(naphthalen-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-hexyl-6-(naphthalen-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione
PubChem CID142656474
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name1-hexyl-6-(naphthalen-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCCCCCCn1c(Cc2ccc3ccccc3c2)c(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C24H30N2O2/c1-4-5-6-9-14-26-21(22(17(2)3)23(27)25-24(26)28)16-18-12-13-19-10-7-8-11-20(19)15-18/h7-8,10-13,15,17H,4-6,9,14,16H2,1-3H3,(H,25,27,28)
InChIKeyDQXSPVSYGKAPIY-UHFFFAOYSA-N
XLogP4.98
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-benzyl-1-[4-(4-fluorophenyl)butyl]-5-propan-2-ylpyrimidine-2,4-dione
CID 52937849
6-benzyl-1,3-dihexyl-5-propan-2-ylpyrimidine-2,4-dione
CID 142656419
6-benzyl-5-ethyl-1-pentylpyrimidine-2,4-dione
CID 142656446
6-(3,5-dimethylbenzoyl)-1-(naphthalen-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 15957772
4-dodecylbenzo[f]quinazoline-1,3-dione
CID 59194270
6-benzyl-3-hexyl-1-(methoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 142656467
1-(ethoxymethyl)-5-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
CID 24776874
6-[(3,5-dimethylphenyl)methyl]-1-(3-phenylprop-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 54541334
1-decyl-3-(2-naphthalen-2-ylethyl)-2H-benzo[f]benzimidazole-4,9-dione
CID 123724544
1-butyl-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 58203491
1-(ethoxymethyl)-6-naphthalen-2-ylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione
CID 11773106
ethane;2-hexylnaphthalene
CID 142191207

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-6-(naphthalen-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 1-hexyl-6-(naphthalen-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione (CID 142656474) is 1-hexyl-6-(naphthalen-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 1-hexyl-6-(naphthalen-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 1-hexyl-6-(naphthalen-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione is CCCCCCn1c(Cc2ccc3ccccc3c2)c(C(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 1-hexyl-6-(naphthalen-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is DQXSPVSYGKAPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-4-5-6-9-14-26-21(22(17(2)3)23(27)25-24(26)28)16-18-12-13-19-10-7-8-11-20(19)15-18/h7-8,10-13,15,17H,4-6,9,14,16H2,1-3H3,(H,25,27,28).
What are the key properties of 1-hexyl-6-(naphthalen-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione?
1-hexyl-6-(naphthalen-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 378.52 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-6-(naphthalen-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 142656474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).