1-amino-5-methylpyrimidine-2,4-dione

C5H7N3O2 — CID 11819159

IUPAC1-amino-5-methylpyrimidine-2,4-dione
SMILESCc1cn(N)c(=O)[nH]c1=O
InChIInChI=1S/C5H7N3O2/c1-3-2-8(6)5(10)7-4(3)9/h2H,6H2,1H3,(H,7,9,10)
InChIKeyVNAUBPZNKAWGIU-UHFFFAOYSA-N
MW141.13 g/mol
LogP-1.44
Rot. Bonds

About 1-amino-5-methylpyrimidine-2,4-dione

1-amino-5-methylpyrimidine-2,4-dione (PubChem CID 11819159) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 1-amino-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-amino-5-methylpyrimidine-2,4-dione
PubChem CID11819159
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name1-amino-5-methylpyrimidine-2,4-dione
SMILESCc1cn(N)c(=O)[nH]c1=O
InChIInChI=1S/C5H7N3O2/c1-3-2-8(6)5(10)7-4(3)9/h2H,6H2,1H3,(H,7,9,10)
InChIKeyVNAUBPZNKAWGIU-UHFFFAOYSA-N
XLogP-1.44
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Thymine
CID 1135
1,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 95961
1-Ethylthymine
CID 5246756
1-Amino-5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 13111906
Fluorothymine
CID 101251837
Acetylthymine
CID 667607
Azidothymine
CID 18179407
5-methyl-1H-pyrimidine-2,4-dione;hydrochloride
CID 21910563
Bromothymin
CID 53896155
5-Methyl-1-tritiopyrimidine-2,4-dione
CID 54289729
5-Methyl-1-sulfanylpyrimidine-2,4-dione
CID 54358869
Bithymine
CID 54398281

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-amino-5-methylpyrimidine-2,4-dione (CID 11819159) is 1-amino-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-amino-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-amino-5-methylpyrimidine-2,4-dione is Cc1cn(N)c(=O)[nH]c1=O.
What is the InChIKey of 1-amino-5-methylpyrimidine-2,4-dione?
The InChIKey is VNAUBPZNKAWGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-3-2-8(6)5(10)7-4(3)9/h2H,6H2,1H3,(H,7,9,10).
What are the key properties of 1-amino-5-methylpyrimidine-2,4-dione?
1-amino-5-methylpyrimidine-2,4-dione has a molecular weight of 141.13 g/mol, XLogP of -1.44, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 11819159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).