1-methyl-5-(2-methylpropyl)pyrimidine-2,4-dione

C9H14N2O2 — CID 163465224

IUPAC1-methyl-5-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cc1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C9H14N2O2/c1-6(2)4-7-5-11(3)9(13)10-8(7)12/h5-6H,4H2,1-3H3,(H,10,12,13)
InChIKeyBSAARTMCBUSPMO-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.27
Rot. Bonds2

About 1-methyl-5-(2-methylpropyl)pyrimidine-2,4-dione

1-methyl-5-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 163465224) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-methyl-5-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-5-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID163465224
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-methyl-5-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cc1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C9H14N2O2/c1-6(2)4-7-5-11(3)9(13)10-8(7)12/h5-6H,4H2,1-3H3,(H,10,12,13)
InChIKeyBSAARTMCBUSPMO-UHFFFAOYSA-N
XLogP0.27
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Isopropyluracil
CID 98575
5-ethyl-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
CID 71654884
5-Propyluracil
CID 73269
2,4(1H,3H)-Pyrimidinedione, 5-butyl-
CID 94985
5-Cyclopropyluracil
CID 6991953
pyrimidine-2,4(1H,3H)-dione, 5-tert-butyl-1-methyl-
CID 68250687
Uracil, 1-allyl-3-ethyl-5-propyl-
CID 210803
Uracil, 1-allyl-3-methyl-5-propyl-
CID 212854
5-sec-Butyluracil
CID 587021
6-amino-1,3-dimethyl-5-propylpyrimidine-2,4(1H,3H)-dione
CID 816906
5-hydroxy-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 33677178
pyrimidine-2,4(1H,3H)-dione, 5-tert-butyl-3-methyl-
CID 130005195

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 1-methyl-5-(2-methylpropyl)pyrimidine-2,4-dione (CID 163465224) is 1-methyl-5-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-5-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-5-(2-methylpropyl)pyrimidine-2,4-dione is CC(C)Cc1cn(C)c(=O)[nH]c1=O.
What is the InChIKey of 1-methyl-5-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is BSAARTMCBUSPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6(2)4-7-5-11(3)9(13)10-8(7)12/h5-6H,4H2,1-3H3,(H,10,12,13).
What are the key properties of 1-methyl-5-(2-methylpropyl)pyrimidine-2,4-dione?
1-methyl-5-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 182.22 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 163465224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).