6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(1,2-oxazol-5-ylmethyl)amino]pyrimidine-2,4-dione

C16H25N5O3 — CID 56786002

IUPAC6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(1,2-oxazol-5-ylmethyl)amino]pyrimidine-2,4-dione
SMILESCC(C)CN(Cc1ccno1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C16H25N5O3/c1-10(2)7-20(9-12-5-6-18-24-12)13-14(17)21(8-11(3)4)16(23)19-15(13)22/h5-6,10-11H,7-9,17H2,1-4H3,(H,19,22,23)
InChIKeyLNGHWNDVHIJGRW-UHFFFAOYSA-N
MW335.41 g/mol
LogP1.43
Rot. Bonds7

About 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(1,2-oxazol-5-ylmethyl)amino]pyrimidine-2,4-dione

6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(1,2-oxazol-5-ylmethyl)amino]pyrimidine-2,4-dione (PubChem CID 56786002) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(1,2-oxazol-5-ylmethyl)amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(1,2-oxazol-5-ylmethyl)amino]pyrimidine-2,4-dione
PubChem CID56786002
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(1,2-oxazol-5-ylmethyl)amino]pyrimidine-2,4-dione
SMILESCC(C)CN(Cc1ccno1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C16H25N5O3/c1-10(2)7-20(9-12-5-6-18-24-12)13-14(17)21(8-11(3)4)16(23)19-15(13)22/h5-6,10-11H,7-9,17H2,1-4H3,(H,19,22,23)
InChIKeyLNGHWNDVHIJGRW-UHFFFAOYSA-N
XLogP1.43
TPSA110.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(1,2-oxazol-5-ylmethyl)amino]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-1-(2-methylpropyl)-5-[2-methylpropyl(1,2-oxazol-5-ylmethyl)amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(1,2-oxazol-5-ylmethyl)amino]pyrimidine-2,4-dione (CID 56786002) is 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(1,2-oxazol-5-ylmethyl)amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(1,2-oxazol-5-ylmethyl)amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(1,2-oxazol-5-ylmethyl)amino]pyrimidine-2,4-dione is CC(C)CN(Cc1ccno1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(1,2-oxazol-5-ylmethyl)amino]pyrimidine-2,4-dione?
The InChIKey is LNGHWNDVHIJGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-10(2)7-20(9-12-5-6-18-24-12)13-14(17)21(8-11(3)4)16(23)19-15(13)22/h5-6,10-11H,7-9,17H2,1-4H3,(H,19,22,23).
What are the key properties of 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(1,2-oxazol-5-ylmethyl)amino]pyrimidine-2,4-dione?
6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(1,2-oxazol-5-ylmethyl)amino]pyrimidine-2,4-dione has a molecular weight of 335.41 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(1,2-oxazol-5-ylmethyl)amino]pyrimidine-2,4-dione is sourced from PubChem (CID 56786002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).