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

C10H12N2O2 — CID 154585147

IUPAC6-methyl-5-pent-4-ynyl-1H-pyrimidine-2,4-dione
SMILESC#CCCCc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H12N2O2/c1-3-4-5-6-8-7(2)11-10(14)12-9(8)13/h1H,4-6H2,2H3,(H2,11,12,13,14)
InChIKeyLWLMLFHNGOUIAP-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.33
Rot. Bonds3

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

6-methyl-5-pent-4-ynyl-1H-pyrimidine-2,4-dione (PubChem CID 154585147) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 6-methyl-5-pent-4-ynyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-5-pent-4-ynyl-1H-pyrimidine-2,4-dione
PubChem CID154585147
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name6-methyl-5-pent-4-ynyl-1H-pyrimidine-2,4-dione
SMILESC#CCCCc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H12N2O2/c1-3-4-5-6-8-7(2)11-10(14)12-9(8)13/h1H,4-6H2,2H3,(H2,11,12,13,14)
InChIKeyLWLMLFHNGOUIAP-UHFFFAOYSA-N
XLogP0.33
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.33
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

5H,6H,7H-cyclopenta(d)pyrimidine-2,4-diol
CID 230742
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, 3,6-dimethyl-5-propyl-
CID 3021709
Uracil, 5-butyl-3,6-dimethyl-
CID 3021746
5-Butyl-6-ethyl-3-methyluracil
CID 3021773
Uracil, 5-butyl-3-methyl-6-propyl-
CID 3021849
Uracil, 5-butyl-6-propyl-
CID 3063172
6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diol
CID 313557

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-pent-4-ynyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-5-pent-4-ynyl-1H-pyrimidine-2,4-dione (CID 154585147) is 6-methyl-5-pent-4-ynyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-5-pent-4-ynyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-5-pent-4-ynyl-1H-pyrimidine-2,4-dione is C#CCCCc1c(C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-methyl-5-pent-4-ynyl-1H-pyrimidine-2,4-dione?
The InChIKey is LWLMLFHNGOUIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-3-4-5-6-8-7(2)11-10(14)12-9(8)13/h1H,4-6H2,2H3,(H2,11,12,13,14).
What are the key properties of 6-methyl-5-pent-4-ynyl-1H-pyrimidine-2,4-dione?
6-methyl-5-pent-4-ynyl-1H-pyrimidine-2,4-dione has a molecular weight of 192.22 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-pent-4-ynyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 154585147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).