3-[(5-chloropyrazin-2-yl)methyl]-1-propylpyrimidine-2,4-dione

C12H13ClN4O2 — CID 103054572

IUPAC3-[(5-chloropyrazin-2-yl)methyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(Cc2cnc(Cl)cn2)c1=O
InChIInChI=1S/C12H13ClN4O2/c1-2-4-16-5-3-11(18)17(12(16)19)8-9-6-15-10(13)7-14-9/h3,5-7H,2,4,8H2,1H3
InChIKeyHTADYUWTBOGECU-UHFFFAOYSA-N
MW280.72 g/mol
LogP0.91
Rot. Bonds4

About 3-[(5-chloropyrazin-2-yl)methyl]-1-propylpyrimidine-2,4-dione

3-[(5-chloropyrazin-2-yl)methyl]-1-propylpyrimidine-2,4-dione (PubChem CID 103054572) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 3-[(5-chloropyrazin-2-yl)methyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-chloropyrazin-2-yl)methyl]-1-propylpyrimidine-2,4-dione
PubChem CID103054572
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name3-[(5-chloropyrazin-2-yl)methyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(Cc2cnc(Cl)cn2)c1=O
InChIInChI=1S/C12H13ClN4O2/c1-2-4-16-5-3-11(18)17(12(16)19)8-9-6-15-10(13)7-14-9/h3,5-7H,2,4,8H2,1H3
InChIKeyHTADYUWTBOGECU-UHFFFAOYSA-N
XLogP0.91
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloropyrazin-2-yl)methyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 3-[(5-chloropyrazin-2-yl)methyl]-1-propylpyrimidine-2,4-dione (CID 103054572) is 3-[(5-chloropyrazin-2-yl)methyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[(5-chloropyrazin-2-yl)methyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 3-[(5-chloropyrazin-2-yl)methyl]-1-propylpyrimidine-2,4-dione is CCCn1ccc(=O)n(Cc2cnc(Cl)cn2)c1=O.
What is the InChIKey of 3-[(5-chloropyrazin-2-yl)methyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is HTADYUWTBOGECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-2-4-16-5-3-11(18)17(12(16)19)8-9-6-15-10(13)7-14-9/h3,5-7H,2,4,8H2,1H3.
What are the key properties of 3-[(5-chloropyrazin-2-yl)methyl]-1-propylpyrimidine-2,4-dione?
3-[(5-chloropyrazin-2-yl)methyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 280.72 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloropyrazin-2-yl)methyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 103054572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).