5-methyl-6-propan-2-yl-1H-pyrimidine-2,4-dione

C8H12N2O2 — CID 12512058

IUPAC5-methyl-6-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCc1c(C(C)C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H12N2O2/c1-4(2)6-5(3)7(11)10-8(12)9-6/h4H,1-3H3,(H2,9,10,11,12)
InChIKeyQAQSFJGQGFDLNW-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.50
Rot. Bonds1

About 5-methyl-6-propan-2-yl-1H-pyrimidine-2,4-dione

5-methyl-6-propan-2-yl-1H-pyrimidine-2,4-dione (PubChem CID 12512058) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-methyl-6-propan-2-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-6-propan-2-yl-1H-pyrimidine-2,4-dione
PubChem CID12512058
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name5-methyl-6-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCc1c(C(C)C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H12N2O2/c1-4(2)6-5(3)7(11)10-8(12)9-6/h4H,1-3H3,(H2,9,10,11,12)
InChIKeyQAQSFJGQGFDLNW-UHFFFAOYSA-N
XLogP0.50
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-propan-2-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-6-propan-2-yl-1H-pyrimidine-2,4-dione (CID 12512058) is 5-methyl-6-propan-2-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-6-propan-2-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-6-propan-2-yl-1H-pyrimidine-2,4-dione is Cc1c(C(C)C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-6-propan-2-yl-1H-pyrimidine-2,4-dione?
The InChIKey is QAQSFJGQGFDLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-4(2)6-5(3)7(11)10-8(12)9-6/h4H,1-3H3,(H2,9,10,11,12).
What are the key properties of 5-methyl-6-propan-2-yl-1H-pyrimidine-2,4-dione?
5-methyl-6-propan-2-yl-1H-pyrimidine-2,4-dione has a molecular weight of 168.20 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-propan-2-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 12512058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).