1-(methylamino)pyrimidine-2,4-dione

C5H7N3O2 — CID 68682640

IUPAC1-(methylamino)pyrimidine-2,4-dione
SMILESCNn1ccc(=O)[nH]c1=O
InChIInChI=1S/C5H7N3O2/c1-6-8-3-2-4(9)7-5(8)10/h2-3,6H,1H3,(H,7,9,10)
InChIKeyTVPIKHVXAZRGRZ-UHFFFAOYSA-N
MW141.13 g/mol
LogP-1.29
Rot. Bonds1

About 1-(methylamino)pyrimidine-2,4-dione

1-(methylamino)pyrimidine-2,4-dione (PubChem CID 68682640) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 1-(methylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(methylamino)pyrimidine-2,4-dione
PubChem CID68682640
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name1-(methylamino)pyrimidine-2,4-dione
SMILESCNn1ccc(=O)[nH]c1=O
InChIInChI=1S/C5H7N3O2/c1-6-8-3-2-4(9)7-5(8)10/h2-3,6H,1H3,(H,7,9,10)
InChIKeyTVPIKHVXAZRGRZ-UHFFFAOYSA-N
XLogP-1.29
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-hydrazinylpyrimidine-2,4-dione
CID 57419744
N-(2,4-dioxopyrimidin-1-yl)acetamide
CID 11819433
ethane;1-methylpyrimidine-2,4-dione
CID 91098384
1-bromopyrimidine-2,4-dione
CID 18634533
2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
CID 60699315
1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione
CID 57209539
1-prop-1-en-2-ylpyrimidine-2,4-dione
CID 144698021
1-pentan-3-ylpyrimidine-2,4-dione
CID 91224356
ethylphosphane;1-methylpyrimidine-2,4-dione
CID 175119511
1-(selanylmethyl)pyrimidine-2,4-dione
CID 173469434
1-pyrrol-1-ylpyrimidine-2,4-dione
CID 174941704
(2,4-dioxopyrimidin-1-yl) acetate
CID 57007226

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)pyrimidine-2,4-dione?
The IUPAC name of 1-(methylamino)pyrimidine-2,4-dione (CID 68682640) is 1-(methylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(methylamino)pyrimidine-2,4-dione?
The canonical SMILES for 1-(methylamino)pyrimidine-2,4-dione is CNn1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-(methylamino)pyrimidine-2,4-dione?
The InChIKey is TVPIKHVXAZRGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-6-8-3-2-4(9)7-5(8)10/h2-3,6H,1H3,(H,7,9,10).
What are the key properties of 1-(methylamino)pyrimidine-2,4-dione?
1-(methylamino)pyrimidine-2,4-dione has a molecular weight of 141.13 g/mol, XLogP of -1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 68682640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).