5-methyl-1-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrimidine-2,4-dione

C10H10N4O4 — CID 54398281

IUPAC5-methyl-1-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrimidine-2,4-dione
SMILESCc1cn(-n2cc(C)c(=O)[nH]c2=O)c(=O)[nH]c1=O
InChIInChI=1S/C10H10N4O4/c1-5-3-13(9(17)11-7(5)15)14-4-6(2)8(16)12-10(14)18/h3-4H,1-2H3,(H,11,15,17)(H,12,16,18)
InChIKeyVLOSRBKVDHOCMM-UHFFFAOYSA-N
MW250.21 g/mol
LogP-1.69
Rot. Bonds1

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

5-methyl-1-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrimidine-2,4-dione (PubChem CID 54398281) 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-dioxopyrimidin-1-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrimidine-2,4-dione
PubChem CID54398281
Molecular FormulaC10H10N4O4
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC Name5-methyl-1-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrimidine-2,4-dione
SMILESCc1cn(-n2cc(C)c(=O)[nH]c2=O)c(=O)[nH]c1=O
InChIInChI=1S/C10H10N4O4/c1-5-3-13(9(17)11-7(5)15)14-4-6(2)8(16)12-10(14)18/h3-4H,1-2H3,(H,11,15,17)(H,12,16,18)
InChIKeyVLOSRBKVDHOCMM-UHFFFAOYSA-N
XLogP-1.69
TPSA109.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 95961
1,1'-Trimethylenebis(thymine)
CID 89902
1-Ethylthymine
CID 5246756
2,4(1H,3H)-Pyrimidinedione, 5-methyl-, dimer
CID 160169
1-Butyl-5-methyl-2,4(1H,3H)-pyrimidinedione
CID 581039
1-Propylthymine
CID 10702254
1-Isobutyl-5-methylpyrimidine-2,4(1h,3h)-dione
CID 240106
Acetylthymine
CID 667607
1-Amino thymine
CID 11819159
Azidothymine
CID 18179407
Thymin Uracil
CID 23504037
5-methyl-1-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrimidine-2,4-dione
CID 54332666

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrimidine-2,4-dione (CID 54398281) is 5-methyl-1-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrimidine-2,4-dione is Cc1cn(-n2cc(C)c(=O)[nH]c2=O)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrimidine-2,4-dione?
The InChIKey is VLOSRBKVDHOCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4/c1-5-3-13(9(17)11-7(5)15)14-4-6(2)8(16)12-10(14)18/h3-4H,1-2H3,(H,11,15,17)(H,12,16,18).
What are the key properties of 5-methyl-1-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrimidine-2,4-dione?
5-methyl-1-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrimidine-2,4-dione has a molecular weight of 250.21 g/mol, XLogP of -1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 54398281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).