1-[[5-(methylamino)pyrazin-2-yl]methyl]pyrimidine-2,4-dione

C10H11N5O2 — CID 103057147

IUPAC1-[[5-(methylamino)pyrazin-2-yl]methyl]pyrimidine-2,4-dione
SMILESCNc1cnc(Cn2ccc(=O)[nH]c2=O)cn1
InChIInChI=1S/C10H11N5O2/c1-11-8-5-12-7(4-13-8)6-15-3-2-9(16)14-10(15)17/h2-5H,6H2,1H3,(H,11,13)(H,14,16,17)
InChIKeyHVIIQBYRGFVLCU-UHFFFAOYSA-N
MW233.23 g/mol
LogP-0.58
Rot. Bonds3

About 1-[[5-(methylamino)pyrazin-2-yl]methyl]pyrimidine-2,4-dione

1-[[5-(methylamino)pyrazin-2-yl]methyl]pyrimidine-2,4-dione (PubChem CID 103057147) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-[[5-(methylamino)pyrazin-2-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[[5-(methylamino)pyrazin-2-yl]methyl]pyrimidine-2,4-dione
PubChem CID103057147
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name1-[[5-(methylamino)pyrazin-2-yl]methyl]pyrimidine-2,4-dione
SMILESCNc1cnc(Cn2ccc(=O)[nH]c2=O)cn1
InChIInChI=1S/C10H11N5O2/c1-11-8-5-12-7(4-13-8)6-15-3-2-9(16)14-10(15)17/h2-5H,6H2,1H3,(H,11,13)(H,14,16,17)
InChIKeyHVIIQBYRGFVLCU-UHFFFAOYSA-N
XLogP-0.58
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(methylamino)pyrazin-2-yl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[[5-(methylamino)pyrazin-2-yl]methyl]pyrimidine-2,4-dione (CID 103057147) is 1-[[5-(methylamino)pyrazin-2-yl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[[5-(methylamino)pyrazin-2-yl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[[5-(methylamino)pyrazin-2-yl]methyl]pyrimidine-2,4-dione is CNc1cnc(Cn2ccc(=O)[nH]c2=O)cn1.
What is the InChIKey of 1-[[5-(methylamino)pyrazin-2-yl]methyl]pyrimidine-2,4-dione?
The InChIKey is HVIIQBYRGFVLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-11-8-5-12-7(4-13-8)6-15-3-2-9(16)14-10(15)17/h2-5H,6H2,1H3,(H,11,13)(H,14,16,17).
What are the key properties of 1-[[5-(methylamino)pyrazin-2-yl]methyl]pyrimidine-2,4-dione?
1-[[5-(methylamino)pyrazin-2-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 233.23 g/mol, XLogP of -0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(methylamino)pyrazin-2-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 103057147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).