6-amino-5-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione

C16H27N4O3+ — CID 8929881

IUPAC6-amino-5-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c(=O)[nH]c1=O
InChIInChI=1S/C16H26N4O3/c1-4-5-20-14(17)13(15(22)18-16(20)23)12(21)9-19-7-10(2)6-11(3)8-19/h10-11H,4-9,17H2,1-3H3,(H,18,22,23)/p+1/t10-,11-/m0/s1
InChIKeyFKBOQHZGVFLNOH-QWRGUYRKSA-O
MW323.42 g/mol
LogP-0.73
Rot. Bonds5

About 6-amino-5-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione

6-amino-5-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione (PubChem CID 8929881) has the molecular formula C16H27N4O3+ and a molecular weight of 323.42 g/mol. Its IUPAC name is 6-amino-5-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione
PubChem CID8929881
Molecular FormulaC16H27N4O3+
Molecular Weight323.42 g/mol
Exact Mass323.21
IUPAC Name6-amino-5-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c(=O)[nH]c1=O
InChIInChI=1S/C16H26N4O3/c1-4-5-20-14(17)13(15(22)18-16(20)23)12(21)9-19-7-10(2)6-11(3)8-19/h10-11H,4-9,17H2,1-3H3,(H,18,22,23)/p+1/t10-,11-/m0/s1
InChIKeyFKBOQHZGVFLNOH-QWRGUYRKSA-O
XLogP-0.73
TPSA102.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-amino-5-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione (CID 8929881) is 6-amino-5-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(C(=O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is FKBOQHZGVFLNOH-QWRGUYRKSA-O. The full InChI is InChI=1S/C16H26N4O3/c1-4-5-20-14(17)13(15(22)18-16(20)23)12(21)9-19-7-10(2)6-11(3)8-19/h10-11H,4-9,17H2,1-3H3,(H,18,22,23)/p+1/t10-,11-/m0/s1.
What are the key properties of 6-amino-5-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione?
6-amino-5-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 323.42 g/mol, XLogP of -0.73, 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-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 8929881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).