5-methyl-1,3-di(propan-2-yl)pyrimidine-2,4-dione

C11H18N2O2 — CID 21186033

IUPAC5-methyl-1,3-di(propan-2-yl)pyrimidine-2,4-dione
SMILESCc1cn(C(C)C)c(=O)n(C(C)C)c1=O
InChIInChI=1S/C11H18N2O2/c1-7(2)12-6-9(5)10(14)13(8(3)4)11(12)15/h6-8H,1-5H3
InChIKeyMKRCGFKBHZCPNE-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.48
Rot. Bonds2

About 5-methyl-1,3-di(propan-2-yl)pyrimidine-2,4-dione

5-methyl-1,3-di(propan-2-yl)pyrimidine-2,4-dione (PubChem CID 21186033) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-methyl-1,3-di(propan-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1,3-di(propan-2-yl)pyrimidine-2,4-dione
PubChem CID21186033
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name5-methyl-1,3-di(propan-2-yl)pyrimidine-2,4-dione
SMILESCc1cn(C(C)C)c(=O)n(C(C)C)c1=O
InChIInChI=1S/C11H18N2O2/c1-7(2)12-6-9(5)10(14)13(8(3)4)11(12)15/h6-8H,1-5H3
InChIKeyMKRCGFKBHZCPNE-UHFFFAOYSA-N
XLogP1.48
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3-di(propan-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1,3-di(propan-2-yl)pyrimidine-2,4-dione (CID 21186033) is 5-methyl-1,3-di(propan-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1,3-di(propan-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1,3-di(propan-2-yl)pyrimidine-2,4-dione is Cc1cn(C(C)C)c(=O)n(C(C)C)c1=O.
What is the InChIKey of 5-methyl-1,3-di(propan-2-yl)pyrimidine-2,4-dione?
The InChIKey is MKRCGFKBHZCPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-7(2)12-6-9(5)10(14)13(8(3)4)11(12)15/h6-8H,1-5H3.
What are the key properties of 5-methyl-1,3-di(propan-2-yl)pyrimidine-2,4-dione?
5-methyl-1,3-di(propan-2-yl)pyrimidine-2,4-dione has a molecular weight of 210.28 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3-di(propan-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 21186033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).