6-amino-3-methyl-5-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione

C16H27N4O3+ — CID 2682235

IUPAC6-amino-3-methyl-5-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)C[NH+]2CCC[C@@H](C)C2)c(=O)n(C)c1=O
InChIInChI=1S/C16H26N4O3/c1-4-7-20-14(17)13(15(22)18(3)16(20)23)12(21)10-19-8-5-6-11(2)9-19/h11H,4-10,17H2,1-3H3/p+1/t11-/m1/s1
InChIKeyWFUKWDRFWPVEIV-LLVKDONJSA-O
MW323.42 g/mol
LogP-0.96
Rot. Bonds5

About 6-amino-3-methyl-5-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione

6-amino-3-methyl-5-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione (PubChem CID 2682235) has the molecular formula C16H27N4O3+ and a molecular weight of 323.42 g/mol. Its IUPAC name is 6-amino-3-methyl-5-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-5-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione
PubChem CID2682235
Molecular FormulaC16H27N4O3+
Molecular Weight323.42 g/mol
Exact Mass323.21
IUPAC Name6-amino-3-methyl-5-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)C[NH+]2CCC[C@@H](C)C2)c(=O)n(C)c1=O
InChIInChI=1S/C16H26N4O3/c1-4-7-20-14(17)13(15(22)18(3)16(20)23)12(21)10-19-8-5-6-11(2)9-19/h11H,4-10,17H2,1-3H3/p+1/t11-/m1/s1
InChIKeyWFUKWDRFWPVEIV-LLVKDONJSA-O
XLogP-0.96
TPSA91.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-amino-5-[(cyclohexylamino)acetyl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
CID 729488
6-Amino-5-(2-piperidin-1-ylacetyl)-1-propylpyrimidine-2,4-dione
CID 4851012
6-Amino-5-[2-(dipropylamino)acetyl]-1-ethylpyrimidine-2,4-dione
CID 45798288
6-Amino-5-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 45800940
6-Amino-5-[2-(cyclohexylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
CID 90485306
6-Amino-1-propyl-5-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione
CID 17561138
6-amino-1-propyl-5-[2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione
CID 25941654
6-amino-1-propyl-5-[2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione
CID 25941656
6-amino-1,3-dimethyl-5-[2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione
CID 27224254
6-amino-1,3-dimethyl-5-[2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione
CID 27224256
1-[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 35168151
6-Amino-1,3-dimethyl-5-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione
CID 45794312

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-5-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-5-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione (CID 2682235) is 6-amino-3-methyl-5-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-5-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-5-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(C(=O)C[NH+]2CCC[C@@H](C)C2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-3-methyl-5-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is WFUKWDRFWPVEIV-LLVKDONJSA-O. The full InChI is InChI=1S/C16H26N4O3/c1-4-7-20-14(17)13(15(22)18(3)16(20)23)12(21)10-19-8-5-6-11(2)9-19/h11H,4-10,17H2,1-3H3/p+1/t11-/m1/s1.
What are the key properties of 6-amino-3-methyl-5-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione?
6-amino-3-methyl-5-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 323.42 g/mol, XLogP of -0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-5-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 2682235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).