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

C8H8N2O2 — CID 154722238

IUPAC6-methyl-5-prop-2-ynyl-1H-pyrimidine-2,4-dione
SMILESC#CCc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H8N2O2/c1-3-4-6-5(2)9-8(12)10-7(6)11/h1H,4H2,2H3,(H2,9,10,11,12)
InChIKeyKOWVFJQYBKRXHD-UHFFFAOYSA-N
MW164.16 g/mol
LogP-0.45
Rot. Bonds1

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

6-methyl-5-prop-2-ynyl-1H-pyrimidine-2,4-dione (PubChem CID 154722238) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 6-methyl-5-prop-2-ynyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-5-prop-2-ynyl-1H-pyrimidine-2,4-dione
PubChem CID154722238
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name6-methyl-5-prop-2-ynyl-1H-pyrimidine-2,4-dione
SMILESC#CCc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H8N2O2/c1-3-4-6-5(2)9-8(12)10-7(6)11/h1H,4H2,2H3,(H2,9,10,11,12)
InChIKeyKOWVFJQYBKRXHD-UHFFFAOYSA-N
XLogP-0.45
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Uracil, 5-allyl-6-methyl-
CID 824910
Uracil, 5-ethyl-6-methyl-
CID 202538
5-Acetyl-6-methylpyrimidine-2,4(1H,3H)-dione
CID 7131306
Uracil, 3,6-dimethyl-5-ethyl-
CID 3021669
Uracil, 6-methyl-5-propyl-
CID 3025420
6-Ethyl-5-methyl-2,4(1H,3H)-pyrimidinedione
CID 14842377
6-methyl-5-prop-2-ynyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 1478691
6-methyl-5-propan-2-yl-1H-pyrimidine-2,4-dione
CID 12512057
Butylmethyl pyrimidinedione
CID 15721967
5-(Pent-4'-yn-1'-yl)-6-methyluracil
CID 154585147
5-(Hex-5'-yn-1'-yl)-6-methyluracil
CID 154585154
5,6-ditert-butyl-1H-pyrimidine-2,4-dione
CID 20658711

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-prop-2-ynyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-5-prop-2-ynyl-1H-pyrimidine-2,4-dione (CID 154722238) is 6-methyl-5-prop-2-ynyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-5-prop-2-ynyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-5-prop-2-ynyl-1H-pyrimidine-2,4-dione is C#CCc1c(C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-methyl-5-prop-2-ynyl-1H-pyrimidine-2,4-dione?
The InChIKey is KOWVFJQYBKRXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-3-4-6-5(2)9-8(12)10-7(6)11/h1H,4H2,2H3,(H2,9,10,11,12).
What are the key properties of 6-methyl-5-prop-2-ynyl-1H-pyrimidine-2,4-dione?
6-methyl-5-prop-2-ynyl-1H-pyrimidine-2,4-dione has a molecular weight of 164.16 g/mol, XLogP of -0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-prop-2-ynyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 154722238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).