6-amino-5-[2-(4-methylpiperidin-1-ium-1-yl)acetyl]-1-propylpyrimidine-2,4-dione

C15H25N4O3+ — CID 8025186

IUPAC6-amino-5-[2-(4-methylpiperidin-1-ium-1-yl)acetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)C[NH+]2CCC(C)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C15H24N4O3/c1-3-6-19-13(16)12(14(21)17-15(19)22)11(20)9-18-7-4-10(2)5-8-18/h10H,3-9,16H2,1-2H3,(H,17,21,22)/p+1
InChIKeyRUUGQALROITPOW-UHFFFAOYSA-O
MW309.39 g/mol
LogP-0.97
Rot. Bonds5

About 6-amino-5-[2-(4-methylpiperidin-1-ium-1-yl)acetyl]-1-propylpyrimidine-2,4-dione

6-amino-5-[2-(4-methylpiperidin-1-ium-1-yl)acetyl]-1-propylpyrimidine-2,4-dione (PubChem CID 8025186) has the molecular formula C15H25N4O3+ and a molecular weight of 309.39 g/mol. Its IUPAC name is 6-amino-5-[2-(4-methylpiperidin-1-ium-1-yl)acetyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-(4-methylpiperidin-1-ium-1-yl)acetyl]-1-propylpyrimidine-2,4-dione
PubChem CID8025186
Molecular FormulaC15H25N4O3+
Molecular Weight309.39 g/mol
Exact Mass309.19
IUPAC Name6-amino-5-[2-(4-methylpiperidin-1-ium-1-yl)acetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)C[NH+]2CCC(C)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C15H24N4O3/c1-3-6-19-13(16)12(14(21)17-15(19)22)11(20)9-18-7-4-10(2)5-8-18/h10H,3-9,16H2,1-2H3,(H,17,21,22)/p+1
InChIKeyRUUGQALROITPOW-UHFFFAOYSA-O
XLogP-0.97
TPSA102.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-(4-methylpiperidin-1-ium-1-yl)acetyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-(4-methylpiperidin-1-ium-1-yl)acetyl]-1-propylpyrimidine-2,4-dione (CID 8025186) is 6-amino-5-[2-(4-methylpiperidin-1-ium-1-yl)acetyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-(4-methylpiperidin-1-ium-1-yl)acetyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-(4-methylpiperidin-1-ium-1-yl)acetyl]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(C(=O)C[NH+]2CCC(C)CC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-(4-methylpiperidin-1-ium-1-yl)acetyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is RUUGQALROITPOW-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H24N4O3/c1-3-6-19-13(16)12(14(21)17-15(19)22)11(20)9-18-7-4-10(2)5-8-18/h10H,3-9,16H2,1-2H3,(H,17,21,22)/p+1.
What are the key properties of 6-amino-5-[2-(4-methylpiperidin-1-ium-1-yl)acetyl]-1-propylpyrimidine-2,4-dione?
6-amino-5-[2-(4-methylpiperidin-1-ium-1-yl)acetyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 309.39 g/mol, XLogP of -0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-(4-methylpiperidin-1-ium-1-yl)acetyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 8025186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).