6-amino-1-butyl-5-(methylamino)pyrimidine-2,4-dione

C9H16N4O2 — CID 2384495

IUPAC6-amino-1-butyl-5-(methylamino)pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NC)c(=O)[nH]c1=O
InChIInChI=1S/C9H16N4O2/c1-3-4-5-13-7(10)6(11-2)8(14)12-9(13)15/h11H,3-5,10H2,1-2H3,(H,12,14,15)
InChIKeyHDWDJIRYLSHJHO-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.04
Rot. Bonds4

About 6-amino-1-butyl-5-(methylamino)pyrimidine-2,4-dione

6-amino-1-butyl-5-(methylamino)pyrimidine-2,4-dione (PubChem CID 2384495) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 6-amino-1-butyl-5-(methylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-(methylamino)pyrimidine-2,4-dione
PubChem CID2384495
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name6-amino-1-butyl-5-(methylamino)pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NC)c(=O)[nH]c1=O
InChIInChI=1S/C9H16N4O2/c1-3-4-5-13-7(10)6(11-2)8(14)12-9(13)15/h11H,3-5,10H2,1-2H3,(H,12,14,15)
InChIKeyHDWDJIRYLSHJHO-UHFFFAOYSA-N
XLogP-0.04
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-(methylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-(methylamino)pyrimidine-2,4-dione (CID 2384495) is 6-amino-1-butyl-5-(methylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-(methylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-(methylamino)pyrimidine-2,4-dione is CCCCn1c(N)c(NC)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-(methylamino)pyrimidine-2,4-dione?
The InChIKey is HDWDJIRYLSHJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-3-4-5-13-7(10)6(11-2)8(14)12-9(13)15/h11H,3-5,10H2,1-2H3,(H,12,14,15).
What are the key properties of 6-amino-1-butyl-5-(methylamino)pyrimidine-2,4-dione?
6-amino-1-butyl-5-(methylamino)pyrimidine-2,4-dione has a molecular weight of 212.25 g/mol, XLogP of -0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-(methylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 2384495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).