6-(2,3,4,5,6,7-hexahydroazocin-8-ylamino)-1,3-dimethylpyrimidine-2,4-dione

C13H20N4O2 — CID 71469425

IUPAC6-(2,3,4,5,6,7-hexahydroazocin-8-ylamino)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N/C2=N/CCCCCC2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H20N4O2/c1-16-11(9-12(18)17(2)13(16)19)15-10-7-5-3-4-6-8-14-10/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyOUTWDAJQPSKOGU-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.86
Rot. Bonds1

About 6-(2,3,4,5,6,7-hexahydroazocin-8-ylamino)-1,3-dimethylpyrimidine-2,4-dione

6-(2,3,4,5,6,7-hexahydroazocin-8-ylamino)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 71469425) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-(2,3,4,5,6,7-hexahydroazocin-8-ylamino)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2,3,4,5,6,7-hexahydroazocin-8-ylamino)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID71469425
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name6-(2,3,4,5,6,7-hexahydroazocin-8-ylamino)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N/C2=N/CCCCCC2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H20N4O2/c1-16-11(9-12(18)17(2)13(16)19)15-10-7-5-3-4-6-8-14-10/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyOUTWDAJQPSKOGU-UHFFFAOYSA-N
XLogP0.86
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(2,3,4,5,6,7-hexahydroazocin-8-ylamino)-1,3-dimethylpyrimidine-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

Related Compounds

1,3-dimethyl-6-[(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 16227797
6-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 2512859
5-Bromo-6-(2,3,4,5,6,7-hexahydroazocin-8-ylamino)-1,3-dimethylpyrimidine-2,4-dione
CID 71469426
1-(2-methylpropyl)-6-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pyrimidine-2,4-dione
CID 102591546
4-(azocan-1-yl)-2-ethyl-1H-pyrimidin-6-one
CID 137009056

Frequently Asked Questions

What is the IUPAC name of 6-(2,3,4,5,6,7-hexahydroazocin-8-ylamino)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-(2,3,4,5,6,7-hexahydroazocin-8-ylamino)-1,3-dimethylpyrimidine-2,4-dione (CID 71469425) is 6-(2,3,4,5,6,7-hexahydroazocin-8-ylamino)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(2,3,4,5,6,7-hexahydroazocin-8-ylamino)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-(2,3,4,5,6,7-hexahydroazocin-8-ylamino)-1,3-dimethylpyrimidine-2,4-dione is Cn1c(N/C2=N/CCCCCC2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-(2,3,4,5,6,7-hexahydroazocin-8-ylamino)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is OUTWDAJQPSKOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-16-11(9-12(18)17(2)13(16)19)15-10-7-5-3-4-6-8-14-10/h9H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 6-(2,3,4,5,6,7-hexahydroazocin-8-ylamino)-1,3-dimethylpyrimidine-2,4-dione?
6-(2,3,4,5,6,7-hexahydroazocin-8-ylamino)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 264.33 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,4,5,6,7-hexahydroazocin-8-ylamino)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 71469425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).