6-amino-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione

C16H26N6O3 — CID 34200629

IUPAC6-amino-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCc1noc(CN(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)n1
InChIInChI=1S/C16H26N6O3/c1-9(2)6-21(8-12-18-11(5)20-25-12)13-14(17)22(7-10(3)4)16(24)19-15(13)23/h9-10H,6-8,17H2,1-5H3,(H,19,23,24)
InChIKeyATDYSNKFHPEUAC-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.13
Rot. Bonds7

About 6-amino-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione

6-amino-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 34200629) has the molecular formula C16H26N6O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 6-amino-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID34200629
Molecular FormulaC16H26N6O3
Molecular Weight350.42 g/mol
Exact Mass350.21
IUPAC Name6-amino-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCc1noc(CN(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)n1
InChIInChI=1S/C16H26N6O3/c1-9(2)6-21(8-12-18-11(5)20-25-12)13-14(17)22(7-10(3)4)16(24)19-15(13)23/h9-10H,6-8,17H2,1-5H3,(H,19,23,24)
InChIKeyATDYSNKFHPEUAC-UHFFFAOYSA-N
XLogP1.13
TPSA123.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-amino-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-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-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 34200629) is 6-amino-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione is Cc1noc(CN(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)n1.
What is the InChIKey of 6-amino-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is ATDYSNKFHPEUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O3/c1-9(2)6-21(8-12-18-11(5)20-25-12)13-14(17)22(7-10(3)4)16(24)19-15(13)23/h9-10H,6-8,17H2,1-5H3,(H,19,23,24).
What are the key properties of 6-amino-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-amino-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 350.42 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 34200629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).