4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)piperazine-1-carboxamide

C18H20N6OS — CID 46231850

IUPAC4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(c3nc(N)nc4sccc34)CC2)c1
InChIInChI=1S/C18H20N6OS/c1-12-3-2-4-13(11-12)20-18(25)24-8-6-23(7-9-24)15-14-5-10-26-16(14)22-17(19)21-15/h2-5,10-11H,6-9H2,1H3,(H,20,25)(H2,19,21,22)
InChIKeyRDAAIBFISRFGQX-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.94
Rot. Bonds2

About 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)piperazine-1-carboxamide

4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)piperazine-1-carboxamide (PubChem CID 46231850) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)piperazine-1-carboxamide
PubChem CID46231850
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(c3nc(N)nc4sccc34)CC2)c1
InChIInChI=1S/C18H20N6OS/c1-12-3-2-4-13(11-12)20-18(25)24-8-6-23(7-9-24)15-14-5-10-26-16(14)22-17(19)21-15/h2-5,10-11H,6-9H2,1H3,(H,20,25)(H2,19,21,22)
InChIKeyRDAAIBFISRFGQX-UHFFFAOYSA-N
XLogP2.94
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)piperazine-1-carboxamide (CID 46231850) is 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)piperazine-1-carboxamide is Cc1cccc(NC(=O)N2CCN(c3nc(N)nc4sccc34)CC2)c1.
What is the InChIKey of 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)piperazine-1-carboxamide?
The InChIKey is RDAAIBFISRFGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-12-3-2-4-13(11-12)20-18(25)24-8-6-23(7-9-24)15-14-5-10-26-16(14)22-17(19)21-15/h2-5,10-11H,6-9H2,1H3,(H,20,25)(H2,19,21,22).
What are the key properties of 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)piperazine-1-carboxamide?
4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)piperazine-1-carboxamide has a molecular weight of 368.47 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 46231850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).