6-amino-3-methyl-5-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetyl]-1-propylpyrimidine-2,4-dione

C17H24N4O4 — CID 9102366

IUPAC6-amino-3-methyl-5-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CN(C)Cc2ccc(C)o2)c(=O)n(C)c1=O
InChIInChI=1S/C17H24N4O4/c1-5-8-21-15(18)14(16(23)20(4)17(21)24)13(22)10-19(3)9-12-7-6-11(2)25-12/h6-7H,5,8-10,18H2,1-4H3
InChIKeyTZBVANCINNLMKE-UHFFFAOYSA-N
MW348.40 g/mol
LogP0.76
Rot. Bonds7

About 6-amino-3-methyl-5-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetyl]-1-propylpyrimidine-2,4-dione

6-amino-3-methyl-5-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetyl]-1-propylpyrimidine-2,4-dione (PubChem CID 9102366) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 6-amino-3-methyl-5-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-5-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetyl]-1-propylpyrimidine-2,4-dione
PubChem CID9102366
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name6-amino-3-methyl-5-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CN(C)Cc2ccc(C)o2)c(=O)n(C)c1=O
InChIInChI=1S/C17H24N4O4/c1-5-8-21-15(18)14(16(23)20(4)17(21)24)13(22)10-19(3)9-12-7-6-11(2)25-12/h6-7H,5,8-10,18H2,1-4H3
InChIKeyTZBVANCINNLMKE-UHFFFAOYSA-N
XLogP0.76
TPSA103.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-amino-3-methyl-5-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetyl]-1-propylpyrimidine-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-3-methyl-5-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-5-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetyl]-1-propylpyrimidine-2,4-dione (CID 9102366) is 6-amino-3-methyl-5-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-5-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-5-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetyl]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(C(=O)CN(C)Cc2ccc(C)o2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-3-methyl-5-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is TZBVANCINNLMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-5-8-21-15(18)14(16(23)20(4)17(21)24)13(22)10-19(3)9-12-7-6-11(2)25-12/h6-7H,5,8-10,18H2,1-4H3.
What are the key properties of 6-amino-3-methyl-5-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetyl]-1-propylpyrimidine-2,4-dione?
6-amino-3-methyl-5-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 348.40 g/mol, XLogP of 0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-5-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 9102366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).