5,6-diamino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione

C9H16N4O2 — CID 4110339

IUPAC5,6-diamino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(N)c(=O)n(C)c1=O
InChIInChI=1S/C9H16N4O2/c1-5(2)4-13-7(11)6(10)8(14)12(3)9(13)15/h5H,4,10-11H2,1-3H3
InChIKeyVULNACCPMCVPGE-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.63
Rot. Bonds2

About 5,6-diamino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione

5,6-diamino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 4110339) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5,6-diamino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5,6-diamino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID4110339
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name5,6-diamino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(N)c(=O)n(C)c1=O
InChIInChI=1S/C9H16N4O2/c1-5(2)4-13-7(11)6(10)8(14)12(3)9(13)15/h5H,4,10-11H2,1-3H3
InChIKeyVULNACCPMCVPGE-UHFFFAOYSA-N
XLogP-0.63
TPSA96.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-diamino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 5,6-diamino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 4110339) is 5,6-diamino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5,6-diamino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 5,6-diamino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione is CC(C)Cn1c(N)c(N)c(=O)n(C)c1=O.
What is the InChIKey of 5,6-diamino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is VULNACCPMCVPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-5(2)4-13-7(11)6(10)8(14)12(3)9(13)15/h5H,4,10-11H2,1-3H3.
What are the key properties of 5,6-diamino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
5,6-diamino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 212.25 g/mol, XLogP of -0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 4110339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).