2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide

C20H31N5OS — CID 55832510

IUPAC2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCc1nc(N2CCN(CC(=O)NC(C)C)CC2)c2c(CC(C)C)csc2n1
InChIInChI=1S/C20H31N5OS/c1-13(2)10-16-12-27-20-18(16)19(22-15(5)23-20)25-8-6-24(7-9-25)11-17(26)21-14(3)4/h12-14H,6-11H2,1-5H3,(H,21,26)
InChIKeyPGQONOCUHCPAFS-UHFFFAOYSA-N
MW389.57 g/mol
LogP2.84
Rot. Bonds6

About 2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 55832510) has the molecular formula C20H31N5OS and a molecular weight of 389.57 g/mol. Its IUPAC name is 2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID55832510
Molecular FormulaC20H31N5OS
Molecular Weight389.57 g/mol
Exact Mass389.22
IUPAC Name2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCc1nc(N2CCN(CC(=O)NC(C)C)CC2)c2c(CC(C)C)csc2n1
InChIInChI=1S/C20H31N5OS/c1-13(2)10-16-12-27-20-18(16)19(22-15(5)23-20)25-8-6-24(7-9-25)11-17(26)21-14(3)4/h12-14H,6-11H2,1-5H3,(H,21,26)
InChIKeyPGQONOCUHCPAFS-UHFFFAOYSA-N
XLogP2.84
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.57
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 55832510) is 2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide is Cc1nc(N2CCN(CC(=O)NC(C)C)CC2)c2c(CC(C)C)csc2n1.
What is the InChIKey of 2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is PGQONOCUHCPAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5OS/c1-13(2)10-16-12-27-20-18(16)19(22-15(5)23-20)25-8-6-24(7-9-25)11-17(26)21-14(3)4/h12-14H,6-11H2,1-5H3,(H,21,26).
What are the key properties of 2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 389.57 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 55832510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).