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

C15H23N5O2S — CID 9420912

IUPAC6-amino-5-[2-(butylamino)-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCCNc1nc(-c2c(N)n(CCC)c(=O)n(C)c2=O)cs1
InChIInChI=1S/C15H23N5O2S/c1-4-6-7-17-14-18-10(9-23-14)11-12(16)20(8-5-2)15(22)19(3)13(11)21/h9H,4-8,16H2,1-3H3,(H,17,18)
InChIKeyNHUDMZWUOWMODO-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.87
Rot. Bonds7

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

6-amino-5-[2-(butylamino)-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione (PubChem CID 9420912) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is 6-amino-5-[2-(butylamino)-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-(butylamino)-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione
PubChem CID9420912
Molecular FormulaC15H23N5O2S
Molecular Weight337.45 g/mol
Exact Mass337.16
IUPAC Name6-amino-5-[2-(butylamino)-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCCNc1nc(-c2c(N)n(CCC)c(=O)n(C)c2=O)cs1
InChIInChI=1S/C15H23N5O2S/c1-4-6-7-17-14-18-10(9-23-14)11-12(16)20(8-5-2)15(22)19(3)13(11)21/h9H,4-8,16H2,1-3H3,(H,17,18)
InChIKeyNHUDMZWUOWMODO-UHFFFAOYSA-N
XLogP1.87
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-(butylamino)-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-(butylamino)-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione (CID 9420912) is 6-amino-5-[2-(butylamino)-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-(butylamino)-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-(butylamino)-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione is CCCCNc1nc(-c2c(N)n(CCC)c(=O)n(C)c2=O)cs1.
What is the InChIKey of 6-amino-5-[2-(butylamino)-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione?
The InChIKey is NHUDMZWUOWMODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S/c1-4-6-7-17-14-18-10(9-23-14)11-12(16)20(8-5-2)15(22)19(3)13(11)21/h9H,4-8,16H2,1-3H3,(H,17,18).
What are the key properties of 6-amino-5-[2-(butylamino)-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione?
6-amino-5-[2-(butylamino)-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione has a molecular weight of 337.45 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-(butylamino)-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 9420912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).