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

C17H28N4O3 — CID 2682315

IUPAC6-amino-5-[2-(azocan-1-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CN2CCCCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C17H28N4O3/c1-3-9-21-15(18)14(16(23)19(2)17(21)24)13(22)12-20-10-7-5-4-6-8-11-20/h3-12,18H2,1-2H3
InChIKeyWOGWYQAVWWXAFX-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.99
Rot. Bonds5

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

6-amino-5-[2-(azocan-1-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione (PubChem CID 2682315) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 6-amino-5-[2-(azocan-1-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-(azocan-1-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
PubChem CID2682315
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name6-amino-5-[2-(azocan-1-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CN2CCCCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C17H28N4O3/c1-3-9-21-15(18)14(16(23)19(2)17(21)24)13(22)12-20-10-7-5-4-6-8-11-20/h3-12,18H2,1-2H3
InChIKeyWOGWYQAVWWXAFX-UHFFFAOYSA-N
XLogP0.99
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-3-methyl-1-propyl-5-(2-pyrrolidin-1-ylacetyl)pyrimidine-2,4-dione
CID 8901624
1-[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 42926320
6-amino-3-methyl-5-(piperidin-1-ylamino)-1-propylpyrimidine-2,4-dione
CID 115279386
6-amino-5-[2-[4-(2-hydroxyacetyl)piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 75391776
6-amino-5-[2-(2-chloroanilino)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 18096439
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-chlorobenzoate
CID 7775795
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] benzoate
CID 7868471
6-amino-5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 16524252
6-amino-1,3-dimethyl-5-[2-(4-phenylpiperidin-1-yl)acetyl]pyrimidine-2,4-dione
CID 55543694
2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide
CID 9433261
6-amino-1-benzyl-5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione
CID 2088446
5,6-diamino-3-methyl-1-propylpyrimidine-2,4-dione
CID 14257879

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-(azocan-1-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-(azocan-1-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione (CID 2682315) is 6-amino-5-[2-(azocan-1-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-(azocan-1-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-(azocan-1-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(C(=O)CN2CCCCCCC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[2-(azocan-1-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
The InChIKey is WOGWYQAVWWXAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-3-9-21-15(18)14(16(23)19(2)17(21)24)13(22)12-20-10-7-5-4-6-8-11-20/h3-12,18H2,1-2H3.
What are the key properties of 6-amino-5-[2-(azocan-1-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
6-amino-5-[2-(azocan-1-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione has a molecular weight of 336.44 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-(azocan-1-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 2682315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).