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

C25H30N4O3S — CID 3649561

IUPAC6-amino-5-[5-(4-butan-2-ylbenzoyl)-4-cyclopropyl-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(-c2nc(C3CC3)c(C(=O)c3ccc(C(C)CC)cc3)s2)c(=O)n(C)c1=O
InChIInChI=1S/C25H30N4O3S/c1-5-13-29-22(26)18(24(31)28(4)25(29)32)23-27-19(16-9-10-16)21(33-23)20(30)17-11-7-15(8-12-17)14(3)6-2/h7-8,11-12,14,16H,5-6,9-10,13,26H2,1-4H3
InChIKeyHNDSLBXCXOFMOU-UHFFFAOYSA-N
MW466.61 g/mol
LogP4.28
Rot. Bonds8

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

6-amino-5-[5-(4-butan-2-ylbenzoyl)-4-cyclopropyl-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione (PubChem CID 3649561) has the molecular formula C25H30N4O3S and a molecular weight of 466.61 g/mol. Its IUPAC name is 6-amino-5-[5-(4-butan-2-ylbenzoyl)-4-cyclopropyl-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[5-(4-butan-2-ylbenzoyl)-4-cyclopropyl-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione
PubChem CID3649561
Molecular FormulaC25H30N4O3S
Molecular Weight466.61 g/mol
Exact Mass466.20
IUPAC Name6-amino-5-[5-(4-butan-2-ylbenzoyl)-4-cyclopropyl-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(-c2nc(C3CC3)c(C(=O)c3ccc(C(C)CC)cc3)s2)c(=O)n(C)c1=O
InChIInChI=1S/C25H30N4O3S/c1-5-13-29-22(26)18(24(31)28(4)25(29)32)23-27-19(16-9-10-16)21(33-23)20(30)17-11-7-15(8-12-17)14(3)6-2/h7-8,11-12,14,16H,5-6,9-10,13,26H2,1-4H3
InChIKeyHNDSLBXCXOFMOU-UHFFFAOYSA-N
XLogP4.28
TPSA99.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[5-(4-butan-2-ylbenzoyl)-4-cyclopropyl-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[5-(4-butan-2-ylbenzoyl)-4-cyclopropyl-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione (CID 3649561) is 6-amino-5-[5-(4-butan-2-ylbenzoyl)-4-cyclopropyl-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[5-(4-butan-2-ylbenzoyl)-4-cyclopropyl-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[5-(4-butan-2-ylbenzoyl)-4-cyclopropyl-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(-c2nc(C3CC3)c(C(=O)c3ccc(C(C)CC)cc3)s2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[5-(4-butan-2-ylbenzoyl)-4-cyclopropyl-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione?
The InChIKey is HNDSLBXCXOFMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3S/c1-5-13-29-22(26)18(24(31)28(4)25(29)32)23-27-19(16-9-10-16)21(33-23)20(30)17-11-7-15(8-12-17)14(3)6-2/h7-8,11-12,14,16H,5-6,9-10,13,26H2,1-4H3.
What are the key properties of 6-amino-5-[5-(4-butan-2-ylbenzoyl)-4-cyclopropyl-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione?
6-amino-5-[5-(4-butan-2-ylbenzoyl)-4-cyclopropyl-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione has a molecular weight of 466.61 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[5-(4-butan-2-ylbenzoyl)-4-cyclopropyl-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 3649561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).