3-(2,2-dimethylpropanoyl)-1H-pyrimidine-2,4-dione

C9H12N2O3 — CID 178052350

IUPAC3-(2,2-dimethylpropanoyl)-1H-pyrimidine-2,4-dione
SMILESCC(C)(C)C(=O)n1c(=O)cc[nH]c1=O
InChIInChI=1S/C9H12N2O3/c1-9(2,3)7(13)11-6(12)4-5-10-8(11)14/h4-5H,1-3H3,(H,10,14)
InChIKeyALRYGZHSHBVXGA-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.22
Rot. Bonds

About 3-(2,2-dimethylpropanoyl)-1H-pyrimidine-2,4-dione

3-(2,2-dimethylpropanoyl)-1H-pyrimidine-2,4-dione (PubChem CID 178052350) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoyl)-1H-pyrimidine-2,4-dione
PubChem CID178052350
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name3-(2,2-dimethylpropanoyl)-1H-pyrimidine-2,4-dione
SMILESCC(C)(C)C(=O)n1c(=O)cc[nH]c1=O
InChIInChI=1S/C9H12N2O3/c1-9(2,3)7(13)11-6(12)4-5-10-8(11)14/h4-5H,1-3H3,(H,10,14)
InChIKeyALRYGZHSHBVXGA-UHFFFAOYSA-N
XLogP0.22
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyluracil
CID 79066
3,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 123209
1-Ethyluracil
CID 4183135
1,3-Dimethyl-6-(propylamino)pyrimidine-2,4-dione
CID 2262138
3-(Thymin-1'-yl)-2-propenal
CID 6439704
N(1),N(3)-Diallylthymine
CID 748590
1,3-diisobutylpyrimidine-2,4(1H,3H)-dione
CID 2883573
1H-Pyrimidine-2,4-dione, 1-allyl-3-methyl-6-methylamino-
CID 752094
1-ethyl-3-methyl-6-(methylamino)-2,4(1H,3H)-pyrimidinedione
CID 822144
3-Butyluracil
CID 73265
6-Amino-1-ethyl-3-propyl-2,4(1H,3H)-pyrimidinedione
CID 95675
6-Amino-3-ethyl-1-propyl-2,4(1H,3H)-pyrimidinedione
CID 116086

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(2,2-dimethylpropanoyl)-1H-pyrimidine-2,4-dione (CID 178052350) is 3-(2,2-dimethylpropanoyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(2,2-dimethylpropanoyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(2,2-dimethylpropanoyl)-1H-pyrimidine-2,4-dione is CC(C)(C)C(=O)n1c(=O)cc[nH]c1=O.
What is the InChIKey of 3-(2,2-dimethylpropanoyl)-1H-pyrimidine-2,4-dione?
The InChIKey is ALRYGZHSHBVXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-9(2,3)7(13)11-6(12)4-5-10-8(11)14/h4-5H,1-3H3,(H,10,14).
What are the key properties of 3-(2,2-dimethylpropanoyl)-1H-pyrimidine-2,4-dione?
3-(2,2-dimethylpropanoyl)-1H-pyrimidine-2,4-dione has a molecular weight of 196.21 g/mol, XLogP of 0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 178052350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).