6-amino-5-(benzylamino)-1-butylpyrimidine-2,4-dione

C15H20N4O2 — CID 2341173

IUPAC6-amino-5-(benzylamino)-1-butylpyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NCc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H20N4O2/c1-2-3-9-19-13(16)12(14(20)18-15(19)21)17-10-11-7-5-4-6-8-11/h4-8,17H,2-3,9-10,16H2,1H3,(H,18,20,21)
InChIKeyBGAYUIQCNHNQSP-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.53
Rot. Bonds6

About 6-amino-5-(benzylamino)-1-butylpyrimidine-2,4-dione

6-amino-5-(benzylamino)-1-butylpyrimidine-2,4-dione (PubChem CID 2341173) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-amino-5-(benzylamino)-1-butylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(benzylamino)-1-butylpyrimidine-2,4-dione
PubChem CID2341173
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name6-amino-5-(benzylamino)-1-butylpyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NCc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H20N4O2/c1-2-3-9-19-13(16)12(14(20)18-15(19)21)17-10-11-7-5-4-6-8-11/h4-8,17H,2-3,9-10,16H2,1H3,(H,18,20,21)
InChIKeyBGAYUIQCNHNQSP-UHFFFAOYSA-N
XLogP1.53
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-amino-5-(benzylamino)-1-butylpyrimidine-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-(benzylamino)-1-butylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(benzylamino)-1-butylpyrimidine-2,4-dione (CID 2341173) is 6-amino-5-(benzylamino)-1-butylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(benzylamino)-1-butylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(benzylamino)-1-butylpyrimidine-2,4-dione is CCCCn1c(N)c(NCc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(benzylamino)-1-butylpyrimidine-2,4-dione?
The InChIKey is BGAYUIQCNHNQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-3-9-19-13(16)12(14(20)18-15(19)21)17-10-11-7-5-4-6-8-11/h4-8,17H,2-3,9-10,16H2,1H3,(H,18,20,21).
What are the key properties of 6-amino-5-(benzylamino)-1-butylpyrimidine-2,4-dione?
6-amino-5-(benzylamino)-1-butylpyrimidine-2,4-dione has a molecular weight of 288.35 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(benzylamino)-1-butylpyrimidine-2,4-dione is sourced from PubChem (CID 2341173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).