6-(cyclopropylmethyl)-3-propan-2-yl-1H-pyrimidine-2,4-dione

C11H16N2O2 — CID 122239184

IUPAC6-(cyclopropylmethyl)-3-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)cc(CC2CC2)[nH]c1=O
InChIInChI=1S/C11H16N2O2/c1-7(2)13-10(14)6-9(12-11(13)15)5-8-3-4-8/h6-8H,3-5H2,1-2H3,(H,12,15)
InChIKeyRVGOGDYZUZGUAY-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.07
Rot. Bonds3

About 6-(cyclopropylmethyl)-3-propan-2-yl-1H-pyrimidine-2,4-dione

6-(cyclopropylmethyl)-3-propan-2-yl-1H-pyrimidine-2,4-dione (PubChem CID 122239184) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 6-(cyclopropylmethyl)-3-propan-2-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(cyclopropylmethyl)-3-propan-2-yl-1H-pyrimidine-2,4-dione
PubChem CID122239184
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name6-(cyclopropylmethyl)-3-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)cc(CC2CC2)[nH]c1=O
InChIInChI=1S/C11H16N2O2/c1-7(2)13-10(14)6-9(12-11(13)15)5-8-3-4-8/h6-8H,3-5H2,1-2H3,(H,12,15)
InChIKeyRVGOGDYZUZGUAY-UHFFFAOYSA-N
XLogP1.07
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethyl)-3-propan-2-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(cyclopropylmethyl)-3-propan-2-yl-1H-pyrimidine-2,4-dione (CID 122239184) is 6-(cyclopropylmethyl)-3-propan-2-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(cyclopropylmethyl)-3-propan-2-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(cyclopropylmethyl)-3-propan-2-yl-1H-pyrimidine-2,4-dione is CC(C)n1c(=O)cc(CC2CC2)[nH]c1=O.
What is the InChIKey of 6-(cyclopropylmethyl)-3-propan-2-yl-1H-pyrimidine-2,4-dione?
The InChIKey is RVGOGDYZUZGUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7(2)13-10(14)6-9(12-11(13)15)5-8-3-4-8/h6-8H,3-5H2,1-2H3,(H,12,15).
What are the key properties of 6-(cyclopropylmethyl)-3-propan-2-yl-1H-pyrimidine-2,4-dione?
6-(cyclopropylmethyl)-3-propan-2-yl-1H-pyrimidine-2,4-dione has a molecular weight of 208.26 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethyl)-3-propan-2-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 122239184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).