5-methyl-1-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrimidine-2,4-dione

C10H10N4O4 — CID 54332666

IUPAC5-methyl-1-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrimidine-2,4-dione
SMILESCc1cn(-c2[nH]c(=O)[nH]c(=O)c2C)c(=O)[nH]c1=O
InChIInChI=1S/C10H10N4O4/c1-4-3-14(10(18)13-7(4)15)6-5(2)8(16)12-9(17)11-6/h3H,1-2H3,(H,13,15,18)(H2,11,12,16,17)
InChIKeySZKZZTGBVKGFGK-UHFFFAOYSA-N
MW250.21 g/mol
LogP-1.48
Rot. Bonds1

About 5-methyl-1-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrimidine-2,4-dione

5-methyl-1-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrimidine-2,4-dione (PubChem CID 54332666) has the molecular formula C10H10N4O4 and a molecular weight of 250.21 g/mol. Its IUPAC name is 5-methyl-1-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrimidine-2,4-dione
PubChem CID54332666
Molecular FormulaC10H10N4O4
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC Name5-methyl-1-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrimidine-2,4-dione
SMILESCc1cn(-c2[nH]c(=O)[nH]c(=O)c2C)c(=O)[nH]c1=O
InChIInChI=1S/C10H10N4O4/c1-4-3-14(10(18)13-7(4)15)6-5(2)8(16)12-9(17)11-6/h3H,1-2H3,(H,13,15,18)(H2,11,12,16,17)
InChIKeySZKZZTGBVKGFGK-UHFFFAOYSA-N
XLogP-1.48
TPSA120.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Thymine
CID 1135
1,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 95961
3,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 123209
N,N-Dimethylthymine
CID 78112
1,1'-Trimethylenebis(thymine)
CID 89902
2,4(1H,3H)-Pyrimidinedione, 5-methyl-1-(2-propynyl)-
CID 489882
5-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione
CID 408478
1-Vinylthymine
CID 4652520
5-but-1-ynyl-1H-pyrimidine-2,4-dione
CID 21932396
5-pent-1-ynyl-1H-pyrimidine-2,4-dione
CID 21982958
1-Ethylthymine
CID 5246756
2,4(1H,3H)-Pyrimidinedione, 5-methyl-, dimer
CID 160169

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrimidine-2,4-dione (CID 54332666) is 5-methyl-1-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrimidine-2,4-dione is Cc1cn(-c2[nH]c(=O)[nH]c(=O)c2C)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrimidine-2,4-dione?
The InChIKey is SZKZZTGBVKGFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4/c1-4-3-14(10(18)13-7(4)15)6-5(2)8(16)12-9(17)11-6/h3H,1-2H3,(H,13,15,18)(H2,11,12,16,17).
What are the key properties of 5-methyl-1-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrimidine-2,4-dione?
5-methyl-1-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrimidine-2,4-dione has a molecular weight of 250.21 g/mol, XLogP of -1.48, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 54332666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).