6-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione

C8H10N2O2 — CID 89271437

IUPAC6-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione
SMILESC/C=C\c1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O2/c1-3-4-6-5(2)9-8(12)10-7(6)11/h3-4H,1-2H3,(H2,9,10,11,12)/b4-3-
InChIKeyGYBFJWZSNUWPFH-ARJAWSKDSA-N
MW166.18 g/mol
LogP0.40
Rot. Bonds1

About 6-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione

6-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione (PubChem CID 89271437) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 6-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione
PubChem CID89271437
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name6-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione
SMILESC/C=C\c1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O2/c1-3-4-6-5(2)9-8(12)10-7(6)11/h3-4H,1-2H3,(H2,9,10,11,12)/b4-3-
InChIKeyGYBFJWZSNUWPFH-ARJAWSKDSA-N
XLogP0.40
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione (CID 89271437) is 6-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione is C/C=C\c1c(C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione?
The InChIKey is GYBFJWZSNUWPFH-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-3-4-6-5(2)9-8(12)10-7(6)11/h3-4H,1-2H3,(H2,9,10,11,12)/b4-3-.
What are the key properties of 6-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione?
6-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione has a molecular weight of 166.18 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 89271437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).