6-amino-1,3-dimethyl-5-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]pyrimidine-2,4-dione

C17H24N6O3S — CID 30721642

About 6-amino-1,3-dimethyl-5-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]pyrimidine-2,4-dione

6-amino-1,3-dimethyl-5-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]pyrimidine-2,4-dione (PubChem CID 30721642) has the molecular formula C17H24N6O3S and a molecular weight of 392.49 g/mol. Its IUPAC name is 6-amino-1,3-dimethyl-5-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 6-amino-1,3-dimethyl-5-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]pyrimidine-2,4-dione
• PubChem CID: 30721642
• Molecular Formula: C17H24N6O3S
• Molecular Weight: 392.49 g/mol
• Exact Mass: 392.16
• IUPAC Name: 6-amino-1,3-dimethyl-5-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]pyrimidine-2,4-dione
• SMILES: Cc1nc(CN2CCN(CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)cs1
• InChI: InChI=1S/C17H24N6O3S/c1-11-19-12(10-27-11)8-22-4-6-23(7-5-22)9-13(24)14-15(18)20(2)17(26)21(3)16(14)25/h10H,4-9,18H2,1-3H3
• InChIKey: KXIBZJMIZMCHLD-UHFFFAOYSA-N
• XLogP: -0.57
• TPSA: 106.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.49
LogP ≤ 5	-0.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-dimethyl-5-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]pyrimidine-2,4-dione?

The IUPAC name of 6-amino-1,3-dimethyl-5-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]pyrimidine-2,4-dione (CID 30721642) is 6-amino-1,3-dimethyl-5-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]pyrimidine-2,4-dione.

What is the SMILES notation for 6-amino-1,3-dimethyl-5-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]pyrimidine-2,4-dione?

The canonical SMILES for 6-amino-1,3-dimethyl-5-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]pyrimidine-2,4-dione is Cc1nc(CN2CCN(CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)cs1.

What is the InChIKey of 6-amino-1,3-dimethyl-5-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]pyrimidine-2,4-dione?

The InChIKey is KXIBZJMIZMCHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3S/c1-11-19-12(10-27-11)8-22-4-6-23(7-5-22)9-13(24)14-15(18)20(2)17(26)21(3)16(14)25/h10H,4-9,18H2,1-3H3.

What are the key properties of 6-amino-1,3-dimethyl-5-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]pyrimidine-2,4-dione?

6-amino-1,3-dimethyl-5-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]pyrimidine-2,4-dione has a molecular weight of 392.49 g/mol, XLogP of -0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-1,3-dimethyl-5-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 30721642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).