6-amino-1-(2-methylpropyl)-5-(2-methylpropylamino)pyrimidine-2,4-dione

C12H22N4O2 — CID 2366802

IUPAC6-amino-1-(2-methylpropyl)-5-(2-methylpropylamino)pyrimidine-2,4-dione
SMILESCC(C)CNc1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C12H22N4O2/c1-7(2)5-14-9-10(13)16(6-8(3)4)12(18)15-11(9)17/h7-8,14H,5-6,13H2,1-4H3,(H,15,17,18)
InChIKeyVNVWSZFHMBSHLH-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.84
Rot. Bonds5

About 6-amino-1-(2-methylpropyl)-5-(2-methylpropylamino)pyrimidine-2,4-dione

6-amino-1-(2-methylpropyl)-5-(2-methylpropylamino)pyrimidine-2,4-dione (PubChem CID 2366802) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 6-amino-1-(2-methylpropyl)-5-(2-methylpropylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(2-methylpropyl)-5-(2-methylpropylamino)pyrimidine-2,4-dione
PubChem CID2366802
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name6-amino-1-(2-methylpropyl)-5-(2-methylpropylamino)pyrimidine-2,4-dione
SMILESCC(C)CNc1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C12H22N4O2/c1-7(2)5-14-9-10(13)16(6-8(3)4)12(18)15-11(9)17/h7-8,14H,5-6,13H2,1-4H3,(H,15,17,18)
InChIKeyVNVWSZFHMBSHLH-UHFFFAOYSA-N
XLogP0.84
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-amino-1-(2-methylpropyl)-5-(2-methylpropylamino)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-methylpropylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(2-methylpropyl)-5-(2-methylpropylamino)pyrimidine-2,4-dione (CID 2366802) is 6-amino-1-(2-methylpropyl)-5-(2-methylpropylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(2-methylpropyl)-5-(2-methylpropylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(2-methylpropyl)-5-(2-methylpropylamino)pyrimidine-2,4-dione is CC(C)CNc1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-(2-methylpropyl)-5-(2-methylpropylamino)pyrimidine-2,4-dione?
The InChIKey is VNVWSZFHMBSHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-7(2)5-14-9-10(13)16(6-8(3)4)12(18)15-11(9)17/h7-8,14H,5-6,13H2,1-4H3,(H,15,17,18).
What are the key properties of 6-amino-1-(2-methylpropyl)-5-(2-methylpropylamino)pyrimidine-2,4-dione?
6-amino-1-(2-methylpropyl)-5-(2-methylpropylamino)pyrimidine-2,4-dione has a molecular weight of 254.33 g/mol, XLogP of 0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-methylpropyl)-5-(2-methylpropylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 2366802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).