5-hex-5-ynyl-6-methyl-1H-pyrimidine-2,4-dione

C11H14N2O2 — CID 154585154

IUPAC5-hex-5-ynyl-6-methyl-1H-pyrimidine-2,4-dione
SMILESC#CCCCCc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H14N2O2/c1-3-4-5-6-7-9-8(2)12-11(15)13-10(9)14/h1H,4-7H2,2H3,(H2,12,13,14,15)
InChIKeyRIVUWRNYJVZHAA-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.72
Rot. Bonds4

About 5-hex-5-ynyl-6-methyl-1H-pyrimidine-2,4-dione

5-hex-5-ynyl-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 154585154) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 5-hex-5-ynyl-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-hex-5-ynyl-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID154585154
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name5-hex-5-ynyl-6-methyl-1H-pyrimidine-2,4-dione
SMILESC#CCCCCc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H14N2O2/c1-3-4-5-6-7-9-8(2)12-11(15)13-10(9)14/h1H,4-7H2,2H3,(H2,12,13,14,15)
InChIKeyRIVUWRNYJVZHAA-UHFFFAOYSA-N
XLogP0.72
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,6,7,8-Tetrahydroquinazoline-2,4(1H,3H)-dione
CID 471872
5,6,7,8,9,10-Hexahydrocycloocta[d]pyrimidine-2,4(1h,3h)-dione
CID 251461
6-ethyl-5-tetradecyl-1H-pyrimidine-2,4-dione
CID 9884215
Uracil, 5-butyl-6-methyl-
CID 207254
Uracil, 6-methyl-5-propyl-
CID 3025420
Uracil, 5-butyl-6-ethyl-
CID 3062839
Uracil, 5-butyl-6-propyl-
CID 3063172
3-Butyl-2-hydroxy-6-methyl-5-pentylpyrimidin-4(3H)-one
CID 16205726
6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diol
CID 313557
Butylmethyl pyrimidinedione
CID 15721967
5-pentyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 309198
5-(Pent-4'-yn-1'-yl)-6-methyluracil
CID 154585147

Frequently Asked Questions

What is the IUPAC name of 5-hex-5-ynyl-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-hex-5-ynyl-6-methyl-1H-pyrimidine-2,4-dione (CID 154585154) is 5-hex-5-ynyl-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-hex-5-ynyl-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-hex-5-ynyl-6-methyl-1H-pyrimidine-2,4-dione is C#CCCCCc1c(C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-hex-5-ynyl-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is RIVUWRNYJVZHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-3-4-5-6-7-9-8(2)12-11(15)13-10(9)14/h1H,4-7H2,2H3,(H2,12,13,14,15).
What are the key properties of 5-hex-5-ynyl-6-methyl-1H-pyrimidine-2,4-dione?
5-hex-5-ynyl-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 206.24 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hex-5-ynyl-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 154585154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).